Molecular Properties | |
SMILES: | O=C(Cn1cnc2ccccc21)Nc1cccc(Cl)c1 |
MW: | 285.07 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 46.92 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z19648425 |
Enamine Extended REAL: | s_22____57731____8583794 |
Mcule: | MCULE-7723274012 |
Mcule Ultimate: | SWHLHIOFZDCMKY-UHFFFAOYSA-N |
MolPort: | MolPort-002-102-944 |
Activity Data | |
IC50 (µM) - Fluorescence: | 87.1939010151352 |
Order Status | |
Ordered: | 2021-03-23 |
Synthesis Location: | enamine |
Shipped: | 2021-03-24 |
AAR-POS-d2a4d1df-1
JIN-POS-6dc588a4-1
1.000
BEN-DND-61647d40-13
1.000
MAT-POS-bfb445d4-1
0.569
MAT-POS-3b92565d-14
0.569
BEN-DND-61647d40-12
0.569
BEN-DND-02317c5c-12
0.569
BEN-DND-61647d40-3
0.545
BEN-DND-61647d40-11
0.493
BEN-DND-61647d40-14
0.456
JAG-UCB-252a2f58-1
0.446
JAN-GHE-5a013bed-2
0.405
TAT-ENA-80bfd3e5-19
0.400
MIC-UNK-66895286-5
0.395
MIC-UNK-66895286-2
0.387
MAR-TRE-3e4e6814-40
0.385
MAR-TRE-d0525fbf-58
0.383
MIC-UNK-66895286-4
0.380
MIC-UNK-66895286-3
0.377
PET-UNK-8922bd3c-1
0.373
BEN-DND-61647d40-16
0.373
EDJ-MED-49816e9b-1
0.372
MAT-POS-162a9720-10
0.370
JAG-UCB-77729364-1
0.367
MAR-TRE-3e4e6814-83
0.364
BEN-DND-61647d40-15
0.361
MAT-POS-06036648-8
0.359
BAR-COM-0f94fc3d-12
0.358
DAR-DIA-23aa0b97-12
0.357
MAR-TRE-74c6519b-62
0.356
MAR-TRE-3e4e6814-65
0.356
JAN-GHE-f4ca5a00-9
0.352
BAR-COM-0f94fc3d-24
0.349
ALP-POS-bad7201a-4
0.348
MAT-POS-06036648-9
0.344
MAR-TRE-a9136c7b-45
0.341
MAT-POS-3b92565d-10
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MAT-POS-3b92565d-13
0.333
JOR-UNI-2fc98d0b-7
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WAR-XCH-eb7b662f-7
0.333
JAN-GHE-83b26c96-19
0.333
DAR-DIA-23aa0b97-14
0.333
AAR-UNI-c25c2f1e-46
0.333
MAR-TRE-92684b97-49
0.330
ALP-POS-8ed8d9ec-7
0.330
PET-UNK-7374c256-1
0.330
NAU-LAT-a5c7d7cb-11
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MIC-UNK-8373f97b-1
0.322
JAN-GHE-5a013bed-3
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DAR-DIA-23aa0b97-13
0.321
MAT-POS-06036648-3
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MAT-POS-3b92565d-11
0.319
MAT-POS-bfb445d4-2
0.318
ALP-POS-3b848b35-3
0.318
EDJ-MED-06d94977-2
0.315
EDJ-MED-50fe53e8-3
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JIN-POS-6dc588a4-7
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SEA-TRI-5a552082-1
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BEN-DND-61647d40-20
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MIC-UNK-8373f97b-3
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MAR-TRE-3e4e6814-61
0.311
JAN-LUN-8953ce76-6
0.310
NAU-LAT-e1818702-2
0.310
JAN-LUN-3e0f9c09-1
0.310
DAR-DIA-2964957d-5
0.310
JAG-UCB-cedd89ab-6
0.310
BEN-VAN-ed886787-18
0.310
ALP-POS-8ed8d9ec-3
0.310
TRY-UNI-714a760b-12
0.309
JAG-UCB-cedd89ab-8
0.309
MIC-UNK-10ba69b4-2
0.309
MAR-TRE-3e4e6814-66
0.308
MIZ-UNK-e844285e-1
0.307
JAG-UCB-ef2c0e8e-3
0.307
TRY-UNI-9f475305-11
0.306
MIC-UNK-10ba69b4-3
0.305
TAT-ENA-80bfd3e5-12
0.305
DAR-DIA-ecdbc7dd-1
0.304
DAR-DIA-667e571f-1
0.304
DAR-DIA-2964957d-7
0.303
JAN-GHE-f4ca5a00-7
0.303
SEA-TRI-6388eba6-1
0.302
MAT-POS-06036648-5
0.302
MIC-UNK-10ba69b4-1
0.302
BEN-DND-61647d40-19
0.301
DAR-DIA-ecdbc7dd-6
0.299
SER-UNI-985a0e14-3
0.299
AAR-POS-fca48359-9
0.299
FAR-UNI-736b943a-7
0.299
JAG-UCB-cedd89ab-7
0.299
PET-UNK-158bee2a-1
0.298
TRY-UNI-714a760b-9
0.298
VLA-UNK-4cf5aa07-1
0.298
JAG-UCB-ef2c0e8e-10
0.296
SEA-TRI-2dd971ce-1
0.295
MAR-TRE-3e4e6814-41
0.293
JIN-POS-6dc588a4-21
0.292
KEI-TRE-d5e2018a-74
0.292
MAR-TRE-9c797165-60
0.292
MAR-TRE-67513f76-54
0.290
BEN-DND-61647d40-2
0.290