Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncn1-c1ccccc1 |
| MW: | 311.08 |
| Fraction sp3: | 0.06 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 46.92 |
| cLogP: | 3.71 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-06-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-07-28 |
BEN-DND-02317c5c-13
0.701
BEN-DND-1e24cf73-6
0.671
BEN-DND-1e24cf73-5
0.630
BEN-DND-1e24cf73-2
0.608
PET-UNK-8df914d1-4
0.582
BEN-DND-1e24cf73-4
0.577
BEN-DND-1e24cf73-3
0.575
NAU-LAT-e1818702-8
0.554
PET-UNK-8df914d1-5
0.534
EDJ-MED-6e43a462-6
0.506
JAN-GHE-5a013bed-9
0.478
ALP-POS-0c2c77e1-1
0.474
MAT-POS-bb423b95-3
0.474
PET-UNK-8df914d1-2
0.462
EDJ-MED-6e43a462-12
0.457
SAM-UNK-2684b532-13
0.452
ALP-POS-95b75b4d-8
0.452
EDJ-MED-6e43a462-5
0.450
EDJ-MED-b24713dc-2
0.449
JAN-GHE-5a013bed-8
0.444
EDG-MED-0da5ad92-2
0.444
ALP-POS-95b75b4d-5
0.443
MAT-POS-bb423b95-4
0.443
EDJ-MED-6e43a462-9
0.443
EDJ-MED-6e43a462-11
0.439
EDJ-MED-b24713dc-4
0.439
JAN-GHE-5a013bed-10
0.438
EDJ-MED-6e43a462-7
0.438
NAU-LAT-e1818702-9
0.438
PET-UNK-158bee2a-2
0.437
JAN-GHE-5a013bed-6
0.437
BEN-DND-1e24cf73-7
0.435
ABI-SAT-4d06482b-2
0.434
EDG-MED-0da5ad92-21
0.432
EDG-MED-0da5ad92-13
0.432
VLA-UNK-411a133b-1
0.432
JAG-UCB-a3ef7265-15
0.432
JAG-UCB-a3ef7265-17
0.432
NAU-LAT-e1818702-7
0.432
EDG-MED-0da5ad92-16
0.432
EDJ-MED-076d6e64-1
0.432
EDJ-MED-6e43a462-4
0.432
JOH-UNI-abfda500-4
0.429
EDJ-MED-6e43a462-13
0.429
EDJ-MED-6e43a462-3
0.427
EDJ-MED-b24713dc-3
0.427
RUB-POS-1325a9ea-8
0.427
EDJ-MED-6e43a462-8
0.427
EDJ-MED-6e43a462-10
0.427
EDJ-MED-b24713dc-1
0.427
EDG-MED-0da5ad92-12
0.427
ALP-POS-95b75b4d-6
0.427
EDJ-MED-49816e9b-3
0.427
JIN-POS-6dc588a4-9
0.425
PET-UNK-158bee2a-4
0.425
MIC-UNK-66895286-1
0.425
RAL-THA-04c5403f-1
0.422
PET-UNK-8df914d1-3
0.421
TRY-UNI-714a760b-6
0.421
PET-UNK-e274cad4-6
0.420
VLA-UNK-411a133b-2
0.419
MIC-UNK-f2576da4-1
0.417
JIN-POS-6dc588a4-14
0.415
JAN-GHE-5a013bed-5
0.414
PET-UNK-158bee2a-3
0.413
ADA-UCB-6c2cb422-1
0.412
ALP-POS-3b848b35-3
0.412
EDJ-MED-6e43a462-2
0.412
JAN-GHE-5a013bed-7
0.411
NAU-LAT-e1818702-10
0.411
VLA-UNK-4cf5aa07-1
0.410
PET-UNK-158bee2a-1
0.410
TRY-UNI-714a760b-3
0.410
JOH-UNI-abfda500-5
0.410
ANN-UNI-98d2bf15-3
0.410
MAT-POS-f7918075-8
0.410
EDJ-MED-49816e9b-5
0.408
EDJ-MED-50fe53e8-3
0.407
EDJ-MED-6e43a462-1
0.407
JAN-GHE-5a013bed-11
0.405
MAK-UNK-6ca90168-23
0.405
NAU-LAT-e1818702-1
0.405
JAN-GHE-f4ca5a00-12
0.405
RUB-POS-1325a9ea-14
0.405
MAT-POS-90fd5f68-40
0.405
PET-UNK-e274cad4-1
0.405
EDG-MED-0da5ad92-15
0.403
NAU-LAT-a5c7d7cb-11
0.402
JIN-POS-6dc588a4-22
0.402
BEN-DND-02317c5c-9
0.402
MAT-POS-3cc264b0-1
0.402
EDJ-MED-50fe53e8-1
0.402
RUB-POS-1325a9ea-13
0.402
PET-UNK-b1ef24dc-2
0.402
EDJ-MED-50fe53e8-4
0.402
RUB-POS-1325a9ea-12
0.402
JIN-POS-6dc588a4-3
0.400
MAT-POS-bb423b95-5
0.400
MAT-POS-90fd5f68-37
0.400
SAM-UNK-2684b532-12
0.400