Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1[nH]nc2cccnc12 |
| MW: | 286.06 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 70.67 |
| cLogP: | 2.79 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-09-29 |
| Synthesis Location: | enamine |
| Shipped: | 2020-11-04 |
JAG-UCB-52b62a6f-1
EDJ-MED-c8e7a002-13
0.506
EDJ-MED-c8e7a002-10
0.481
JAN-GHE-5a013bed-11
0.479
EDJ-MED-c8e7a002-2
0.475
EDJ-MED-c8e7a002-3
0.463
JIN-POS-6dc588a4-15
0.463
MAT-POS-bb423b95-2
0.463
AGN-NEW-c7b24fe3-5
0.461
EDG-MED-0da5ad92-14
0.459
AGN-NEW-c7b24fe3-4
0.442
EDG-MED-0da5ad92-2
0.438
JAN-GHE-5a013bed-8
0.438
PET-UNK-158bee2a-4
0.438
JIN-POS-6dc588a4-2
0.438
AGN-NEW-c7b24fe3-1
0.436
EDJ-MED-6e43a462-7
0.432
PET-UNK-158bee2a-2
0.431
JAN-GHE-5a013bed-9
0.431
JAG-UCB-52b62a6f-7
0.429
JIN-POS-6dc588a4-10
0.427
EDJ-MED-c8e7a002-9
0.427
ALP-POS-95b75b4d-8
0.427
SAM-UNK-2684b532-13
0.427
EDJ-MED-49816e9b-2
0.427
EDG-MED-0da5ad92-13
0.427
EDG-MED-0da5ad92-21
0.427
VLA-UNK-411a133b-1
0.427
NAU-LAT-a5c7d7cb-10
0.425
EDJ-MED-c8e7a002-11
0.425
MAT-POS-f7918075-3
0.422
MIC-UNK-08cd9c58-1
0.422
EDJ-MED-c8e7a002-15
0.422
EDJ-MED-49816e9b-3
0.421
MIC-UNK-66895286-1
0.419
EDJ-MED-c8e7a002-5
0.414
JAN-GHE-5a013bed-6
0.411
EDG-MED-0da5ad92-18
0.410
ABI-SAT-4d06482b-2
0.410
EDJ-MED-6e43a462-4
0.410
EDJ-MED-c8e7a002-16
0.410
MAT-POS-199e2e7c-2
0.410
JAN-GHE-5a013bed-4
0.408
VLA-UCB-00f2c2b3-7
0.407
ALP-POS-3b848b35-3
0.407
NAU-LAT-e1818702-10
0.405
JAN-GHE-5a013bed-7
0.405
JOH-UNI-abfda500-4
0.405
PET-UNK-158bee2a-1
0.405
VLA-UNK-4cf5aa07-1
0.405
ALP-POS-95b75b4d-6
0.403
MAT-POS-bb423b95-4
0.402
ALP-POS-95b75b4d-5
0.402
JIN-POS-6dc588a4-7
0.402
EDJ-MED-c8e7a002-12
0.402
VLA-UNK-4cf5aa07-2
0.400
MAK-UNK-6ca90168-23
0.400
RUB-POS-1325a9ea-12
0.398
EDG-MED-0da5ad92-15
0.397
TRY-UNI-714a760b-6
0.397
MIC-UNK-d935700b-1
0.395
VLA-UNK-411a133b-2
0.395
JAN-GHE-5a013bed-10
0.395
RUB-POS-1325a9ea-11
0.393
MIC-UNK-d935700b-2
0.393
JIN-POS-6dc588a4-21
0.393
JAG-UCB-a3ef7265-17
0.390
PET-UNK-158bee2a-3
0.390
EDG-MED-0da5ad92-16
0.390
PET-UNK-8df914d1-4
0.390
JAG-UCB-a3ef7265-15
0.390
NAU-LAT-e1818702-7
0.390
MAT-POS-f7918075-8
0.388
JOH-UNI-abfda500-5
0.388
ANN-UNI-98d2bf15-3
0.388
EDG-MED-0da5ad92-17
0.388
PET-UNK-8df914d1-2
0.386
EDJ-MED-49816e9b-5
0.385
EDG-MED-0da5ad92-12
0.385
JOH-UNI-6fede743-4
0.381
JIN-POS-6dc588a4-17
0.381
MAT-POS-bb423b95-3
0.381
ALP-POS-0c2c77e1-1
0.381
BEN-DND-1e24cf73-3
0.381
MAT-POS-f7918075-6
0.381
RUB-POS-1325a9ea-13
0.381
EDJ-MED-50fe53e8-2
0.381
ALP-POS-6495d03e-7
0.381
PET-UNK-8df914d1-3
0.380
EDJ-MED-c8e7a002-6
0.379
SAM-UNK-2684b532-11
0.378
RUB-POS-1325a9ea-19
0.378
JIN-POS-6dc588a4-3
0.378
JIN-POS-6dc588a4-4
0.378
SAM-UNK-2684b532-12
0.378
MAT-POS-bb423b95-5
0.378
MIC-UNK-42806bd5-2
0.377
ALP-POS-90e38439-3
0.377
ALP-POS-8b8a49e1-5
0.377
JIN-POS-6dc588a4-16
0.376
EDJ-MED-6e43a462-5
0.376