Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccn2cnnc2c1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 300.08 |
| Fraction sp3: | 0.13 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.29 |
| cLogP: | 2.87 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 75.2573815369255 |
| IC50 (µM) - RapidFire: | 83.3781317147818 |
| Order Status | |
| Ordered: | 2020-09-29 |
| Synthesis Location: | enamine |
| Shipped: | 2020-10-21 |
JAG-UCB-52b62a6f-1
EDJ-MED-c8e7a002-7
0.600
EDG-MED-0da5ad92-15
0.514
NAU-LAT-e1818702-7
0.507
JAG-UCB-a3ef7265-17
0.507
EDJ-MED-49816e9b-2
0.507
EDJ-MED-076d6e64-1
0.500
EDG-MED-0da5ad92-18
0.487
EDG-MED-0da5ad92-16
0.467
VLA-UNK-411a133b-1
0.447
PET-UNK-158bee2a-3
0.447
JAG-UCB-a3ef7265-15
0.447
EDJ-MED-c8e7a002-8
0.446
EDJ-MED-c8e7a002-17
0.446
EDJ-MED-49816e9b-3
0.442
EDJ-MED-49816e9b-5
0.442
NAU-LAT-e1818702-1
0.438
JAN-GHE-f4ca5a00-12
0.438
EDJ-MED-b24713dc-4
0.435
VLA-UNK-411a133b-2
0.434
NAU-LAT-e1818702-9
0.434
EDJ-MED-97c1bf5c-2
0.432
JAG-UCB-52b62a6f-11
0.432
EDG-MED-0da5ad92-13
0.429
PET-UNK-8df914d1-4
0.429
EDJ-MED-97c1bf5c-1
0.427
EDJ-MED-7bb79bc5-1
0.427
JAN-GHE-5a013bed-7
0.427
NAU-LAT-e1818702-10
0.427
RUB-POS-1325a9ea-8
0.424
EDG-MED-0da5ad92-12
0.423
EDG-MED-0da5ad92-14
0.423
JAN-GHE-5a013bed-11
0.421
TRY-UNI-714a760b-6
0.418
PET-UNK-8df914d1-3
0.418
NAU-LAT-e1818702-8
0.417
JIN-POS-6dc588a4-17
0.417
JAN-GHE-5a013bed-1
0.416
BEN-DND-1e24cf73-2
0.414
JAN-GHE-5a013bed-6
0.413
RUB-POS-1325a9ea-18
0.412
JAN-GHE-5a013bed-5
0.411
EDG-MED-0da5ad92-21
0.410
EDG-MED-0da5ad92-17
0.407
EDJ-MED-50fe53e8-3
0.405
PET-UNK-158bee2a-4
0.403
NAU-LAT-a5c7d7cb-11
0.400
ABI-SAT-4d06482b-2
0.395
JAN-GHE-5a013bed-9
0.395
PET-UNK-158bee2a-2
0.395
NAU-LAT-8502cac5-7
0.394
BEN-DND-02317c5c-8
0.393
EDJ-MED-b24713dc-2
0.393
PET-UNK-e44ffd04-1
0.393
NAU-LAT-a5c7d7cb-12
0.393
EDJ-MED-b24713dc-1
0.391
AGN-NEW-c7b24fe3-5
0.390
JOH-UNI-abfda500-5
0.390
ANN-UNI-98d2bf15-3
0.390
TRY-UNI-714a760b-3
0.390
JAN-GHE-5a013bed-8
0.385
MIC-UNK-66895286-1
0.385
EDG-MED-0da5ad92-2
0.385
PET-UNK-e274cad4-6
0.384
EDJ-MED-50fe53e8-2
0.384
MAT-POS-f7918075-6
0.384
EDJ-MED-50fe53e8-4
0.384
BEN-DND-02317c5c-9
0.384
BEN-DND-1e24cf73-3
0.384
JOH-UNI-6fede743-4
0.384
MAT-POS-29385cc1-4
0.382
EDJ-MED-c8e7a002-6
0.382
MIC-UNK-d935700b-1
0.381
JAN-GHE-f4ca5a00-16
0.381
PET-UNK-8df914d1-5
0.381
JIN-POS-6dc588a4-3
0.381
JAN-GHE-5a013bed-10
0.380
JIN-POS-6dc588a4-21
0.379
RUB-POS-1325a9ea-3
0.379
MIC-UNK-50cce87d-3
0.379
RUB-POS-1325a9ea-5
0.379
JOH-UNI-6fede743-5
0.378
JOH-UNI-6fede743-2
0.375
EDJ-MED-6e43a462-3
0.375
EDJ-MED-b24713dc-3
0.375
SAM-UNK-2684b532-13
0.375
ALP-POS-95b75b4d-8
0.375
PET-UNK-158bee2a-1
0.373
VLA-UNK-4cf5aa07-1
0.373
AGN-NEW-c7b24fe3-4
0.373
BEN-DND-1e24cf73-1
0.372
JIN-POS-6dc588a4-9
0.372
EDJ-MED-6e43a462-9
0.372
PET-UNK-8df914d1-2
0.372
ALP-POS-8b8a49e1-7
0.372
MAT-POS-c20a539d-6
0.371
JOH-UNI-ee5ed7c8-8
0.371
EDJ-MED-6e43a462-11
0.371
MAT-POS-29385cc1-3
0.371
JOH-UNI-3fc3434e-8
0.371
RUB-POS-1325a9ea-4
0.371