Molecule Details

O=C(Cc1cccnc1)Nc1cccc(OC2CC(=O)N2)c1
3-aminopyridine-like Enamine Assayed
View on Fragalysis x10371
Molecular Properties
SMILES:
O=C(Cc1cccnc1)Nc1cccc(OC2CC(=O)N2)c1
MW: 297.11
Fraction sp3: 0.19
HBA: 4
HBD: 2
Rotatable Bonds: 5
TPSA: 80.32
cLogP: 1.49
Covalent Warhead:
Covalent Fragment: ✔️
Source
Enamine Extended REAL: s_22____10971742____7459856
Activity Data
IC50 (µM) - Fluorescence: 88.3422842953824
pIC50 (µM) - Fluorescence 4.05383137523776
Average Inhibition @ 20 µM - Fluorescence: 39.5682
Average Inhibition @ 50 µM - Fluorescence: 71.7735
Average Inhibition @ 50 µM - RapidFire: 26.440201745
Relative Solubility @ 20 µM: 0.97
Relative Solubility @ 100 µM: 0.99
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-10

betalactam

b-lactam

O=C(Cc1cncnc1)Nc1cccc(OC2CC(=O)N2)c1

BAR-COM-4e090d3a-39
0.761

View
O=C(Cc1ccccc1)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-6
0.716

View
O=C(Cc1cccnc1)Nc1cccc(OC2CC(=NO)C2)c1

ANT-OPE-6e66bf84-1
0.671

View
CON=C1CC(Oc2cccc(NC(=O)Cc3cccnc3)c2)C1

ANT-OPE-6e66bf84-2
0.653

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CCC(=O)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-11
0.636

View
O=C(Cc1cncc2ccccc12)Nc1cccc(OC2CC(=O)N2)c1

ERI-UCB-ce40166b-1
0.578

View
C=CC(=O)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-9
0.565

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O=C1CC(Oc2cccc(NC(=O)C(=O)c3cncnc3)c2)N1

RAL-MED-2de63afb-4
0.553

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C[C@H](C(=O)Nc1cccc(OC2CC(=O)N2)c1)c1cncnc1

RAL-MED-2de63afb-16
0.545

View
C[C@@H](C(=O)Nc1cccc(OC2CC(=O)N2)c1)c1cncnc1

RAL-MED-2de63afb-15
0.545

View
N#Cc1cccc(NC(=O)Cc2cccnc2)c1

DAR-DIA-23aa0b97-4
0.528

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C/C=C/C(=O)Nc1cccc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-10
0.521

View
CC(C(=O)Nc1cccc(OC2CC(=O)N2)c1)c1cnccn1

BAR-COM-4e090d3a-53
0.506

View
Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-7
0.494

View
Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1

BRU-LEF-c49414a7-1
0.494

View
O=C(Cc1cncc2ccccc12)Nc1cccc(OC2CCC(=O)N2)c1

ERI-UCB-ce40166b-2
0.484

View
Cc1cc(NC(=O)Cc2cncnc2)cc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-2
0.481

View
O=C(Cc1cncnc1)Nc1cc(F)cc(OC2CC(=O)N2)c1

RAL-MED-2de63afb-14
0.469

View
N#Cc1cc(NC(=O)Cc2cncnc2)cc(OC2CC(=O)N2)c1

TRY-UNI-bbd40bb4-1
0.458

View
O=C(Cc1cncnc1)Nc1cccc(CC2CC(=O)N2)c1

RAL-MED-2de63afb-7
0.450

View
C=CC(=O)N(C(=O)Cc1cccc(OC2CC(=O)N2)c1)c1cccnc1

TRY-UNI-69298daf-5
0.443

View
N#Cc1cncc(NC(=O)Cc2cccnc2)c1

DAR-DIA-23aa0b97-6
0.429

View
O=C1CC(Oc2cccc(C(=O)NCc3cncnc3)c2)N1

RAL-MED-2de63afb-5
0.429

View
O=C1CC(c2cccc(NC(=O)Cc3cncnc3)c2)CN1

RAL-MED-2de63afb-3
0.422

View
Cc1ccncc1CC(=O)Nc1cc(C#N)cc(OC2CC(=O)N2)c1

TRY-UNI-bbd40bb4-2
0.418

View
O=C(Cc1cncnc1)Nc1cccc(CC2CCC(=O)N2)c1

RAL-MED-2de63afb-8
0.417

View
Cc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-1
0.416

View
O=C1CC(Oc2ccc(NC(=O)Nc3cccnc3)s2)N1

TRY-UNI-bbd40bb4-4
0.405

View
C=CC(=O)N(C(=O)Cc1cccc(OC2CC(=O)N2)c1)c1cncnc1

TRY-UNI-69298daf-3
0.404

View
O=C(Cc1cncnc1)Nc1cccc(CC2CNC(=O)N2)c1

RAL-MED-2de63afb-13
0.400

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COc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-5
0.396

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CCc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-6
0.396

View
Cc1ccncc1NC(=O)Cc1cc(F)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-2
0.391

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1

TRY-UNI-2eddb1ff-7
0.391

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1

WIL-MOD-03b86a88-1
0.391

View
O=C(Cc1cncnc1)Nc1cccc([C@H]2NCCNC2=O)c1

ADA-UCB-b1b30a00-3
0.391

View
C=CC(=O)N(C(=O)Cc1cccc(OC2CC(=O)N2)c1)c1cnccc1C

TRY-UNI-69298daf-1
0.389

View
O=C(Cc1cncnc1)Nc1cccnc1

SAD-SAT-24589cd1-4
0.384

View
Cc1ccncc1NC(=O)Cc1cc(C#N)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-3
0.379

View
Cc1ccncc1NC(=O)Cc1cc(C#N)cc(OC2CC(=O)N2)c1

TRY-UNI-2eddb1ff-6
0.379

View
C#Cc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-4
0.379

View
O=C(Cc1cccc(Cl)c1)Nc1cccnc1

EDG-MED-0da5ad92-2
0.377

View
O=C(Cc1cccnc1)Nc1cc(Cl)cnc1O

BEN-DND-61647d40-17
0.375

View
O=C(Cc1cncc2ccccc12)Nc1cc(Cl)cc(OC2CC(=O)N2)c1

ERI-UCB-ce40166b-5
0.374

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O=C(Cc1ccc(F)cc1)Nc1cccnc1

MAK-UNK-a7b37c5e-5
0.373

View
N#Cc1cc(NC(=O)Cc2cncc3ccccc23)cc(OC2CC(=O)N2)c1

ERI-UCB-ce40166b-9
0.370

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O=C(Cc1ccccc1)Nc1cccnc1

SAN-PRS-52b81272-2
0.370

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O=C(Cc1cncnc1)Nc1cccc(N2CCC2)c1

SAD-SAT-24589cd1-2
0.366

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O=C(Cc1cncnc1)Nc1cccc(CCCc2ccccc2)c1

BAR-COM-4e090d3a-11
0.365

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COc1cccc(NC(=O)Cc2cccc(CS(N)(=O)=O)c2)c1

CHA-MCP-85291e1d-6
0.365

View
O=C(Cc1cncc(Cl)c1)Nc1cccnc1

DAR-DIA-23aa0b97-16
0.364

View
O=C(Cc1cccnc1)Nc1cc(Cl)ccc1O

BEN-DND-61647d40-18
0.362

View
O=C(Cc1cncc2ccccc12)Nc1cccc(Oc2cccnc2)c1

ERI-UCB-ce40166b-4
0.362

View
NS(=O)(=O)Cc1cccc(CC(=O)Nc2cccnc2)c1

CHA-MCP-85291e1d-5
0.361

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Cn1cc(CC(=O)Nc2cccnc2)cn1

DAR-DIA-842b4336-11
0.359

View
N#Cc1ccc(O)c(NC(=O)Cc2cccnc2)c1

BEN-DND-61647d40-8
0.358

View
N#Cc1ccccc1NC(=O)Cc1cccnc1

ANT-DIA-3c79be55-2
0.354

View
N#Cc1cccc(CC(=O)Nc2cccnc2)c1

ANN-UNI-26382800-5
0.354

View
C=CC(=O)N(C(=O)Cc1cc(C#N)cc(OC2CC(=O)N2)c1)c1cccnc1

TRY-UNI-69298daf-6
0.354

View
COc1cccc(NC(=O)Cc2cccc(CCNC(C)=O)c2)c1

CHA-MCP-85291e1d-3
0.352

View
O=C(Cc1cccnc1Cl)Nc1cccc(OCCc2ccccc2)c1

BAR-COM-4e090d3a-15
0.351

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccccc12

MAT-POS-3b92565d-3
0.350

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccccc12

ALP-POS-3b848b35-2
0.350

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cncc2ccccc12

EDJ-MED-7320d5d2-1
0.350

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CC(=O)NCc1cccc(NC(=O)Cc2cncnc2)c1

RAL-MED-2de63afb-12
0.349

View
NS(=O)(=O)c1cccc(CC(=O)Nc2cccnc2)c1

CHA-MCP-85291e1d-2
0.349

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)c(OC2CC(=O)N2)c1

RAL-THA-901e9a10-8
0.347

View
O=C(Cc1cccnc1)NCc1ccccc1

NAU-LAT-64f4b287-9
0.347

View
O=C1CCC(N2Cc3cc(CC(=O)Nc4cccnc4)ccc3C2=O)C(=O)N1

MAR-TRE-2fd8122f-3
0.347

View
N#Cc1cnc(O)c(NC(=O)Cc2cccnc2)c1

BEN-DND-61647d40-7
0.345

View
O=C(Cc1cccc(N2CCCC2=O)c1)Nc1cccnc1

MAR-TRE-2fd8122f-39
0.344

View
O=C(Cc1ccc(Cl)cc1)Nc1cccnc1

MAK-UNK-a7b37c5e-4
0.342

View
O=C1CC(C(=O)Nc2cccnc2)CC(=O)N1

MAR-TRE-2fd8122f-27
0.342

View
Cc1ccncc1NC(=O)N(C)c1cc(Cl)cc(OC2CC(=O)N2)c1

MAR-UCB-ad2ff052-1
0.340

View
NS(=O)(=O)Cc1cccc(NC(=O)N(CC(=O)NC2CC2)c2cccnc2)c1

SIM-SYN-a98e6a07-3
0.340

View
O=C(Cc1cn[nH]c1)Nc1cccc(Cl)c1

MIC-UNK-66895286-2
0.338

View
N#Cc1cncc(CC(=O)Nc2cccnc2)c1

DAR-DIA-23aa0b97-17
0.337

View
O=C1CC(OCc2ccc(NC(=O)Nc3cccnc3)s2)N1

TRY-UNI-bbd40bb4-3
0.337

View
CC(=O)NCCc1cccc(CC(=O)Nc2cccnc2)c1

CHA-MCP-85291e1d-1
0.333

View
Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.333

View
O=C(Cc1ccsc1)Nc1cccnc1

DAR-DIA-842b4336-10
0.333

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1nc2ccccc2[nH]1

ALP-POS-a30bcdb4-1
0.330

View
O=C(Nc1cccnc1)Nc1cccc(CCCc2ccc[nH]2)c1

BAR-COM-21d20d65-3
0.330

View
O=C1CC(C(=O)Nc2cccnc2)NC(=O)N1

MAR-TRE-2fd8122f-81
0.329

View
N#Cc1cccc(NC(=O)Cc2cncc(N)c2)c1

DAR-DIA-23aa0b97-3
0.326

View
C#Cc1cccc(NC(=O)CC(=O)Nc2cccnc2)c1

MAR-TRE-2fd8122f-57
0.325

View
O=C(Cc1cccnc1)N(c1cccc2cc[nH]c12)C1CCC(O)CC1

DUN-NEW-f8ce3686-15
0.323

View
NC1=NC(Cc2cccc(NC(=O)Nc3cccnc3)c2)C(=O)N1

WIL-UNI-5578df48-27
0.323

View
N#Cc1cccc(NC(=O)Cc2cncc3ncccc23)c1

DAR-DIA-23aa0b97-18
0.323

View
Cc1ccncc1NC(=O)Nc1ccc(OC2CC(=O)N2)s1

TRY-UNI-bbd40bb4-6
0.323

View
CNc1cccc(CC(=O)Nc2cnccc2C2CC2)c1

ALP-POS-95b75b4d-10
0.322

View
O=C(CNC(=O)[C@@H]1CCCCN1)Nc1cccnc1

MAR-TRE-3e4e6814-62
0.322

View
NC(=O)NC(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-28
0.322

View
O=C(CC1(Cc2cccnc2)CCCC1)Nc1cccnc1

CHR-SOS-59746812-2
0.321

View
Cc1ccncc1NC(=O)C(CCc1ccccc1)c1cc(Cl)cc(OC2CC(=O)N2)c1

ALP-POS-3fc1724e-6
0.321

View
O=C(Cc1ccccc1C(=O)O)Nc1cccnc1

MAK-UNK-a7b37c5e-2
0.321

View
Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1

TRY-UNI-2eddb1ff-8
0.320

View
O=C(CC(=O)Nc1cccnc1)Nc1cccnc1

MAR-TRE-67513f76-81
0.319

View
Cc1ncc(CCc2cccc(NC(=O)Nc3cccnc3)c2)[nH]1

BAR-COM-21d20d65-5
0.319

View
O=C(Nc1cccnc1)Nc1cccc(Cc2ccccc2O)c1

WIL-UNI-5578df48-26
0.318

View
O=C(CCCC1=CC=CN=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.722

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OC2CCCC2)=C1

0.686

View
CC1=CC(C)=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.662

View
CCC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.662

View
CC1=CN=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)S1

0.658

View
COC1=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=CC(OC)=C1

0.653

View
O=C(CC1=CC=CC(C2CC2)=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.649

View
CCCC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.644

View
CC(C)(C)C1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.644

View
CC1=CC=CC(C)=C1CC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.639

View
COC1=CC=CC(OC)=C1CC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.639

View
O=C(CC1=CC=C2CCCC2=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.636

View
CCC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.636

View
CC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1C

0.635

View
COC1=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=CC(OC)=C1OC

0.635

View
CC(C)OC1=CC=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.632

View
COCC1=CC=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.632

View
COC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.627

View
CCOC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.627

View
CC(C)CC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.627

View
COC1=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=CC(OC)=C1O

0.627

View
O=C(CC1=CC=C(N2C=CC=C2)C=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.623

View
O=C(CC1=CC=C2CCCCC2=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.623

View
CC1=CC(C)=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C(C)=C1

0.622

View
O=C(CC1=CC=C2COCC2=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.620

View
CCSC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.618

View
CCCCC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.618

View
O=C(CC1=CC=C(NC(=O)C2CC2)C=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.618

View
CC1=NC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)S1

0.618

View
CCC1=CC=CC=C1CC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.616

View
O=C(CCCOC1=CC=CN=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.615

View
CCCOC1=CC=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.615

View
CCS(=O)(=O)C1=CC=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.615

View
CCC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)N=C1

0.615

View
COCCOC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.615

View
CC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)O1

0.613

View
COC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1OC

0.610

View
O=C(CC1CC1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.609

View
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.608

View
CC1=NN(C(F)F)C(C)=C1CC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.608

View
CC1=NN(C(C)C)C(C)=C1CC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.608

View
CN1N=CC=C1CC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.605

View
CN1C=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=N1

0.605

View
O=C(CC1=CC=C2OCCOC2=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.603

View
CC1=NN(C)C(C)=C1CC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.603

View
COC1=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=CC=C1C

0.603

View
CC(C)OC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.600

View
CCOC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.600

View
O=C(CC1=CC=CN=C1)NC1=CC(OC(F)F)=CC=C1

0.600

View
O=C(CC1CC(=O)N1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.600

View
O=C(CC1=CC(OCC(F)(F)F)=CC=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.600

View
COCCOC1=CC=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.600

View
O=C(CC1=CC=CN=C1)NC1=CC(OC(F)(F)F)=CC=C1

0.600

View
CC(C)(C)OC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.600

View
CC1=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)SC=C1

0.600

View
CC1=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C(C)=CC(N(C)C)=C1

0.597

View
COC1=CC=C(OC)C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.597

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.597

View
CC(C)COC1=CC=C(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)C=C1

0.595

View
CN1N=CC(Cl)=C1CC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.595

View
C=C(C)COC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.589

View
CC1=CN=CC(CCC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.588

View
O=C1CC(OC2=CC(NC(=O)C3(C4=CC=CN=C4)CC3)=CC=C2)N1

0.584

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OC2=CC=CC=C2)=C1

0.583

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OCC2=CC=CN=C2)=C1

0.583

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OC2=CC=NC=C2)=C1

0.583

View
CNC(=O)OC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.583

View
CCCOC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.583

View
O=C(CC1=CC=CC=C1)NCCC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.582

View
CC(C)=CCOC1=CC=CC(CC(=O)NC2=CC=CC(OC3CC(=O)N3)=C2)=C1

0.578

View
O=C(CCCNC(=O)C1=CC=CN=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.578

View
C=CCOC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.575

View
NCCOC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.575

View
NC(=O)COC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.575

View
O=C(CC1=CC=CN=C1)NC1=CC(OCCF)=CC=C1

0.575

View
C=CCCC(=O)NC1=CC=CC(OC2CC(=O)N2)=C1

0.575

View
O=C(CCCC1=CC=CC=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.571

View
O=C(CC1=CC=CC(N2CCCC2=O)=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.571

View
O=C1CC(OC2=CC(NC(=O)C3CCCCN3CC3=CC=CN=C3)=CC=C2)N1

0.570

View
O=C1CC(OC2=CC(NC(=O)C3CCCN(CC4=CC=CN=C4)C3)=CC=C2)N1

0.570

View
CCC(C)OC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.568

View
CC(C)COC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.568

View
N#CCOC1=CC(NC(=O)CC2=CC=CN=C2)=CC=C1

0.568

View
COCCOC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.568

View
C#CCOC1=CC(NC(=O)CC2=CC=CN=C2)=CC=C1

0.568

View
CC(C)(C(=O)NC1=CC=CC(OC2CC(=O)N2)=C1)C1=CC=CN=C1

0.564

View
CNC(=O)COC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.560

View
O=C(CCCCC1=CC=CC=C1)NC1=CC=CC(OC2CC(=O)N2)=C1

0.557

View
O=C1CC(OC2=CC(NC(=O)[C@@H]3C[C@H]3C3=CC=CN=C3)=CC=C2)N1

0.557

View
CNCCOC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1

0.553

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OC2=CN=CC=N2)=C1

0.553

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OCCC2=CC=CC=C2)=C1

0.551

View
O=C(COC1=CC=CC(NC(=O)CC2=CC=CN=C2)=C1)NC1=CC=CC=C1

0.545

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OC2=CC=CN=N2)=C1

0.545

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OC2=CC=CC=N2)=C1

0.538

View
O=C(CC1=CC=CN=C1)NC1=CC(Br)=CC=C1

0.536

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(OCC(=O)N2CCCC2)=C1

0.524

View
O=C(CC1=CC=CN=C1)NNC(=O)NC1=CC=CC(OC2CCCC2)=C1

0.518

View
O=C(CC1=CC=CN=C1)NC1=CC=CC(COC2=CC=CC=C2)=C1

0.506

View
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NC1=CC=CC(OCC2=CC=CN=C2)=C1

0.487

View

C(NC1C=CC=C(OC)C=1)(=O)CC1=CC=CN=C1

0.627

View
C(NC1C=CC=C(OC(C)C)C=1)(=O)CC1=CC=CN=C1

0.600

View
C(NC1=CC=CC(OC(F)F)=C1)(=O)CC1=CC=CN=C1

0.600

View
C(NC1=CC=CC(OC(F)(F)F)=C1)(=O)CC1=CC=CN=C1

0.600

View
C(NC1=CC=CC(OC2=CC=CC=C2)=C1)(=O)CC1=CC=CN=C1

0.583

View
C(NC1=CC=CC(OCC#N)=C1)(=O)CC1=CC=CN=C1

0.568

View
C(NC1C=CC=C(OCC#C)C=1)(=O)CC1=CC=CN=C1

0.568

View
C(NC1=CC=CC(OCC2=CC=CC=C2)=C1)(=O)CC1=CC=CN=C1

0.553

View
C(NC1=CC(OC)=C(C)C=C1)(=O)CC1=CC=CN=C1

0.474

View
C(NC1C=CC(F)=C(OC)C=1)(=O)CC1=CC=CN=C1

0.468

View
C(NC1C=CC(Br)=C(OC)C=1)(=O)CC1=CC=CN=C1

0.468

View
C(NC1=CC=C(OC)C=C1)(=O)CC1=CC=CN=C1

0.458

View
C(NC1=CC=C(OCC)C=C1)(=O)CC1=CC=CN=C1

0.440

View
C(NC1=CC=C(OCC#C)C=C1)(=O)CC1=CC=CN=C1

0.423

View
C(NC1=CC=C(OCCCC)C=C1)(=O)CC1=CC=CN=C1

0.418

View
C(NC1=C(C)C(OC)=CC=C1)(=O)CC1=CC=CN=C1

0.392

View
C(NC1=C(C)C=CC(OC)=C1)(=O)CC1=CC=CN=C1

0.383

View
C(NC1C=CC=C(OC)C=1)(=O)CC1=C(Cl)N=CC=C1

0.357

View
C(NC1C=CC=C(OC(C)C)C=1)(=O)CC1=C(Cl)N=CC=C1

0.345

View
C(NC1=CC=CC(OCC#N)=C1)(=O)CC1=C(Cl)N=CC=C1

0.333

View


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