Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1ncn2ccccc12 |
| MW: | 285.07 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.4 |
| cLogP: | 3.17 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-07-25 |
| Synthesis Location: | enamine |
| Shipped: | 2020-08-26 |
NAU-LAT-a5c7d7cb-11
0.513
PET-UNK-e44ffd04-1
0.487
BEN-DND-02317c5c-8
0.487
NAU-LAT-a5c7d7cb-12
0.487
JIN-POS-6dc588a4-9
0.481
EDG-MED-0da5ad92-15
0.479
EDJ-MED-50fe53e8-4
0.474
BEN-DND-02317c5c-9
0.474
PET-UNK-8df914d1-2
0.462
JIN-POS-6dc588a4-17
0.456
NAU-LAT-e1818702-7
0.452
JAG-UCB-a3ef7265-17
0.452
JIN-POS-6dc588a4-15
0.450
RUB-POS-1325a9ea-22
0.447
RUB-POS-1325a9ea-8
0.444
JIN-POS-6dc588a4-7
0.443
VLA-UNK-411a133b-2
0.438
JAN-GHE-5a013bed-10
0.438
NAU-LAT-e1818702-8
0.438
JAN-GHE-5a013bed-9
0.437
EDJ-MED-c8e7a002-6
0.434
JAG-UCB-a3ef7265-15
0.432
VLA-UNK-411a133b-1
0.432
PET-UNK-8df914d1-4
0.432
EDJ-MED-c8e7a002-7
0.432
JIN-POS-6dc588a4-8
0.430
EDJ-MED-c8e7a002-11
0.430
NAU-LAT-a5c7d7cb-10
0.430
ALP-POS-95b75b4d-6
0.427
EDG-MED-0da5ad92-14
0.427
EDJ-MED-49816e9b-5
0.427
JIN-POS-6dc588a4-2
0.425
PET-UNK-158bee2a-4
0.425
JAN-GHE-5a013bed-8
0.425
AGN-NEW-c7b24fe3-1
0.423
JAN-GHE-f4ca5a00-12
0.423
NAU-LAT-e1818702-1
0.423
EDJ-MED-6e43a462-11
0.422
MAT-POS-3cc264b0-1
0.420
EDJ-MED-50fe53e8-1
0.420
NAU-LAT-e1818702-9
0.420
JAN-GHE-5a013bed-2
0.418
PET-UNK-158bee2a-2
0.417
JAN-GHE-5a013bed-6
0.417
ABI-SAT-4d06482b-2
0.416
EDJ-MED-c8e7a002-8
0.415
EDJ-MED-076d6e64-1
0.415
EDJ-MED-6e43a462-5
0.415
MAT-POS-199e2e7c-2
0.415
EDJ-MED-c8e7a002-17
0.415
EDJ-MED-c8e7a002-16
0.415
JAN-GHE-5a013bed-5
0.414
ALP-POS-95b75b4d-8
0.413
SAM-UNK-2684b532-13
0.413
EDG-MED-0da5ad92-13
0.413
EDJ-MED-49816e9b-2
0.413
EDG-MED-0da5ad92-16
0.413
EDG-MED-0da5ad92-21
0.413
MAT-POS-bfb445d4-2
0.412
EDJ-MED-c8e7a002-1
0.412
JAN-GHE-5a013bed-7
0.411
NAU-LAT-e1818702-10
0.411
JOH-UNI-abfda500-5
0.410
EDG-MED-0da5ad92-17
0.410
ANN-UNI-98d2bf15-3
0.410
PET-UNK-158bee2a-1
0.410
VLA-UNK-4cf5aa07-1
0.410
AGN-NEW-c7b24fe3-4
0.410
AGN-NEW-c7b24fe3-5
0.410
JOH-UNI-abfda500-4
0.410
EDJ-MED-c8e7a002-15
0.410
EDJ-MED-49816e9b-3
0.408
BEN-DND-1e24cf73-1
0.407
RUB-POS-1325a9ea-17
0.407
JAN-GHE-5a013bed-11
0.405
EDG-MED-0da5ad92-2
0.405
MIC-UNK-66895286-1
0.405
EDJ-MED-b24713dc-4
0.405
EDJ-MED-c8e7a002-4
0.405
TRY-UNI-714a760b-6
0.403
PET-UNK-8df914d1-3
0.403
BEN-DND-1e24cf73-3
0.402
PET-UNK-e274cad4-6
0.402
MAT-POS-bb423b95-3
0.402
ALP-POS-0c2c77e1-1
0.402
EDJ-MED-6e43a462-7
0.402
PET-UNK-8df914d1-5
0.400
JAN-GHE-5a013bed-1
0.400
JIN-POS-6dc588a4-5
0.400
MAT-POS-bb423b95-5
0.400
EDJ-MED-7bb79bc5-1
0.398
RUB-POS-1325a9ea-11
0.398
JIN-POS-6dc588a4-16
0.398
EDJ-MED-6e43a462-6
0.398
EDJ-MED-6e43a462-4
0.398
JIN-POS-6dc588a4-24
0.398
JIN-POS-6dc588a4-21
0.398
EDJ-MED-c8e7a002-9
0.398
JOH-UNI-6fede743-1
0.398
EDG-MED-0da5ad92-18
0.397