Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cn[nH]c1 |
| MW: | 235.05 |
| Fraction sp3: | 0.09 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 57.78 |
| cLogP: | 2.24 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine Extended REAL: | s_22____12398626____3020518 |
| MolPort: | MolPort-012-897-627 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-07-28 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ALE-HEI-f28a35b5-9
JAN-GHE-5a013bed-9
0.614
EDG-MED-0da5ad92-2
0.567
EDG-MED-0da5ad92-13
0.548
EDG-MED-0da5ad92-12
0.540
MIC-UNK-66895286-2
0.532
EDG-MED-0da5ad92-21
0.524
ALP-POS-3b848b35-3
0.515
JAN-GHE-5a013bed-6
0.508
NAU-LAT-e1818702-10
0.500
JAN-GHE-5a013bed-7
0.500
EDJ-MED-49816e9b-3
0.492
ALP-POS-95b75b4d-6
0.492
JAN-GHE-5a013bed-8
0.492
PET-UNK-158bee2a-4
0.492
JAN-GHE-5a013bed-11
0.492
EDJ-MED-c8e7a002-12
0.486
PET-UNK-8df914d1-3
0.485
JAN-GHE-5a013bed-10
0.484
VLA-UNK-411a133b-2
0.484
PET-UNK-158bee2a-2
0.484
RUB-POS-1325a9ea-13
0.479
MIC-UNK-d935700b-1
0.478
SAM-UNK-2684b532-13
0.477
ALP-POS-95b75b4d-8
0.477
PET-UNK-158bee2a-3
0.477
PET-UNK-8df914d1-4
0.477
VLA-UNK-411a133b-1
0.477
JAG-UCB-a3ef7265-15
0.477
NAU-LAT-e1818702-7
0.477
JAG-UCB-a3ef7265-17
0.477
EDG-MED-0da5ad92-16
0.477
MAT-POS-199e2e7c-2
0.472
VLA-UCB-00f2c2b3-7
0.471
JOH-UNI-abfda500-5
0.471
ANN-UNI-98d2bf15-3
0.471
JOH-UNI-abfda500-4
0.471
TRY-UNI-714a760b-6
0.463
RUB-POS-1325a9ea-12
0.458
JIN-POS-6dc588a4-3
0.457
PET-UNK-8df914d1-5
0.457
JIN-POS-6dc588a4-4
0.457
SAM-UNK-2684b532-12
0.457
RUB-POS-1325a9ea-19
0.457
ABI-SAT-4d06482b-2
0.456
EDJ-MED-49816e9b-2
0.455
MIC-UNK-d935700b-2
0.452
RUB-POS-1325a9ea-22
0.449
EDG-MED-0da5ad92-17
0.449
TRY-UNI-714a760b-3
0.449
EDG-MED-0da5ad92-14
0.448
EDJ-MED-49816e9b-5
0.448
MAT-POS-f7918075-8
0.446
NAU-LAT-e1818702-1
0.443
JAN-GHE-f4ca5a00-12
0.443
MAK-UNK-6ca90168-23
0.443
EDG-MED-0da5ad92-15
0.441
NAU-LAT-e1818702-9
0.438
JOH-UNI-6fede743-4
0.438
JIN-POS-6dc588a4-6
0.438
EDJ-MED-50fe53e8-4
0.438
BEN-DND-1e24cf73-3
0.438
BEN-DND-02317c5c-9
0.438
JIN-POS-6dc588a4-5
0.437
SAM-UNK-2684b532-11
0.437
MAT-POS-bb423b95-5
0.437
BEN-DND-1e24cf73-7
0.436
JAN-GHE-5a013bed-5
0.435
EDG-MED-0da5ad92-18
0.435
JAN-GHE-5a013bed-4
0.433
EDJ-MED-c8e7a002-16
0.432
JIN-POS-6dc588a4-14
0.432
JIN-POS-6dc588a4-12
0.432
RUB-POS-1325a9ea-11
0.432
JIN-POS-6dc588a4-10
0.432
RUB-POS-1325a9ea-18
0.432
EDJ-MED-6e43a462-4
0.432
NAU-LAT-a5c7d7cb-12
0.431
EDJ-MED-b24713dc-2
0.431
ALP-POS-95b75b4d-7
0.431
JOH-UNI-6fede743-3
0.431
BEN-DND-02317c5c-8
0.431
ADA-UCB-6c2cb422-1
0.431
PET-UNK-e44ffd04-1
0.431
NAU-LAT-a5c7d7cb-10
0.431
MAT-POS-bb423b95-6
0.431
JIN-POS-6dc588a4-19
0.431
EDJ-MED-c8e7a002-11
0.431
AGN-NEW-c7b24fe3-4
0.429
AGN-NEW-c7b24fe3-5
0.429
PET-UNK-158bee2a-1
0.429
VLA-UNK-4cf5aa07-1
0.429
JOH-UNI-6fede743-2
0.427
MIC-UNK-8971c93c-1
0.427
MAT-POS-f7918075-4
0.427
EDJ-MED-6e43a462-3
0.427
MIC-UNK-08cd9c58-1
0.427
MAT-POS-f7918075-3
0.427
JIN-POS-6dc588a4-23
0.427
RUB-POS-1325a9ea-15
0.427
EDJ-MED-c8e7a002-2
0.427