Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(CCN1CCOCC1)c1cccc(Cl)c1 |
MW: | 360.845 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 57.7 |
cLogP: | 3.1057 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
JOR-UNI-2fc98d0b-9
0.861
JOR-UNI-2fc98d0b-11
0.769
JOR-UNI-2fc98d0b-17
0.769
JOR-UNI-2fc98d0b-13
0.750
JOR-UNI-2fc98d0b-10
0.750
JOR-UNI-2fc98d0b-15
0.732
JOR-UNI-2fc98d0b-1
0.725
JOR-UNI-61e7b1d5-16
0.714
JOR-UNI-2fc98d0b-8
0.646
JOR-UNI-2fc98d0b-2
0.625
JOR-UNI-61e7b1d5-10
0.624
ERI-UCB-ce40166b-23
0.607
JOR-UNI-2fc98d0b-12
0.593
JOR-UNI-2fc98d0b-5
0.586
JOR-UNI-2fc98d0b-16
0.581
JOR-UNI-2fc98d0b-3
0.568
JOR-UNI-2fc98d0b-4
0.568
JOR-UNI-2fc98d0b-14
0.556
JOR-UNI-61e7b1d5-28
0.543
JOR-UNI-61e7b1d5-30
0.543
JOR-UNI-61e7b1d5-26
0.538
JOR-UNI-61e7b1d5-24
0.532
JOR-UNI-61e7b1d5-3
0.527
JOR-UNI-61e7b1d5-17
0.520
JOR-UNI-61e7b1d5-11
0.459
VLA-UCB-34f3ed0c-13
0.446
JOR-UNI-61e7b1d5-9
0.441
JOR-UNI-61e7b1d5-7
0.426
JOR-UNI-61e7b1d5-4
0.423
JOR-UNI-61e7b1d5-14
0.420
JOR-UNI-61e7b1d5-18
0.414
EMI-TUK-a58865cc-6
0.411
MIC-UNK-cdc2493e-23
0.410
JOR-UNI-61e7b1d5-12
0.410
EMI-TUK-a58865cc-5
0.409
MAR-TRE-2fd8122f-88
0.406
JOR-UNI-61e7b1d5-5
0.406
MIC-UNK-cdc2493e-22
0.400
EMI-TUK-a58865cc-7
0.400
JOR-UNI-61e7b1d5-22
0.398
EDG-MED-0da5ad92-2
0.393
JOR-UNI-61e7b1d5-29
0.393
EMI-TUK-a58865cc-4
0.391
JOR-UNI-61e7b1d5-31
0.389
JOR-UNI-61e7b1d5-27
0.389
EDG-MED-0da5ad92-20
0.388
WIL-UNI-5578df48-3
0.386
MAT-POS-136e7878-1
0.386
KEI-TRE-d5e2018a-16
0.385
MIC-UNK-cdc2493e-24
0.385
KEI-TRE-d5e2018a-19
0.383
JOR-UNI-61e7b1d5-25
0.382
JOR-UNI-61e7b1d5-20
0.376
WIL-UNI-5578df48-2
0.375
WAR-XCH-eb7b662f-7
0.373
DAR-DIA-23aa0b97-14
0.373
JOR-UNI-2fc98d0b-7
0.373
JAN-GHE-83b26c96-19
0.373
CHR-SOS-7098f804-12
0.369
JAN-GHE-f4ca5a00-11
0.367
DAR-DIA-6a49afbe-5
0.364
DAR-DIA-43a5904b-16
0.363
MIC-UNK-cdc2493e-2
0.361
KEI-TRE-d5e2018a-13
0.360
ASH-UNK-40b46b30-3
0.359
EMI-TUK-a58865cc-3
0.359
MIC-UNK-cdc2493e-3
0.356
MIC-UNK-cdc2493e-1
0.352
ASH-UNK-40b46b30-9
0.351
MIC-UNK-bcd487e9-10
0.349
KAY-MCD-59dc2eb3-1
0.348
MAK-UNK-f0bfc2e0-1
0.347
EMI-TUK-a58865cc-2
0.347
ADA-UNI-f8e79267-10
0.347
MAR-TRE-2fd8122f-89
0.347
KEI-TRE-d5e2018a-22
0.347
KEI-TRE-d5e2018a-36
0.347
KEI-TRE-d5e2018a-9
0.347
VLA-UCB-05e51b3f-14
0.346
EDJ-MED-c314995a-1
0.346
MIC-UNK-cdc2493e-16
0.346
JOR-UNI-61e7b1d5-15
0.345
MAK-UNK-a7b37c5e-4
0.345
EMI-TUK-a58865cc-1
0.344
SAD-SAT-135344c3-8
0.343
MIC-UNK-cdc2493e-19
0.343
MIC-UNK-bcd487e9-9
0.343
ADA-UNI-f8e79267-11
0.340
ADA-UNI-f8e79267-12
0.340
MAR-TRE-67513f76-51
0.340
MIC-UNK-bcd487e9-1
0.340
ADA-UCB-dc2b944c-6
0.339
ADA-UNI-f8e79267-8
0.337
JOR-UNI-61e7b1d5-13
0.336
MIC-UNK-cdc2493e-15
0.336
ADA-UNI-f8e79267-9
0.333
MAR-TRE-3e4e6814-34
0.333
DAR-DIA-23aa0b97-16
0.333
WIL-UNI-5578df48-1
0.333
ADA-UNI-f8e79267-7
0.333