Molecule Details
| Molecular Properties | |
| SMILES: | COc1ccc2ncc(NC(=O)Cc3cccc(Cl)c3)n2c1 |
| MW: | 315.08 |
| Fraction sp3: | 0.12 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 55.63 |
| cLogP: | 3.18 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 15.8689199755984 |
| Order Status | |
| Ordered: | 2021-06-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-12 |
EDJ-MED-6e43a462-9
0.690
EDJ-MED-b24713dc-3
0.685
EDJ-MED-6e43a462-12
0.676
EDJ-MED-6e43a462-10
0.662
EDJ-MED-6e43a462-8
0.662
EDJ-MED-6e43a462-13
0.658
EDJ-MED-6e43a462-1
0.628
PET-UNK-8df914d1-2
0.600
EDJ-MED-6e43a462-6
0.584
EDJ-MED-b24713dc-1
0.557
EDJ-MED-6e43a462-3
0.557
EDJ-MED-6e43a462-5
0.544
EDJ-MED-b24713dc-2
0.526
EDJ-MED-827e7cb4-8
0.516
EDJ-MED-6e43a462-4
0.506
BEN-DND-1e24cf73-7
0.506
EDJ-MED-b24713dc-4
0.494
EDJ-MED-6e43a462-7
0.476
PET-UNK-8df914d1-4
0.474
BEN-DND-1e24cf73-6
0.471
BEN-DND-1e24cf73-3
0.458
CAR-UNK-140e3209-1
0.455
BEN-DND-1e24cf73-4
0.449
EDJ-MED-00c1612e-1
0.448
PET-UNK-8df914d1-1
0.448
EDJ-MED-6e43a462-11
0.442
EDJ-MED-7bb79bc5-1
0.433
EDJ-MED-c8e7a002-2
0.430
MAT-POS-c20a539d-1
0.427
PET-UNK-f4e47ebd-2
0.422
JIN-POS-6dc588a4-3
0.422
PET-UNK-8df914d1-5
0.422
JAN-GHE-5a013bed-6
0.421
BEN-DND-1e24cf73-5
0.420
EDJ-MED-c8e7a002-3
0.420
BEN-DND-1e24cf73-2
0.420
EDG-MED-0da5ad92-13
0.418
EDJ-MED-c8e7a002-1
0.416
JIN-POS-6dc588a4-23
0.414
EDJ-MED-49816e9b-3
0.412
BEN-DND-02317c5c-1
0.412
BEN-DND-1e24cf73-1
0.412
MIC-UNK-66895286-1
0.410
JAN-GHE-5a013bed-8
0.410
PET-UNK-f4e47ebd-1
0.407
VLA-UNK-411a133b-2
0.405
JAN-GHE-5a013bed-10
0.405
MAT-POS-c20a539d-2
0.404
PET-UNK-158bee2a-2
0.403
JAN-GHE-5a013bed-9
0.403
ABI-SAT-4d06482b-2
0.402
EDJ-MED-c8e7a002-17
0.402
JIN-POS-6dc588a4-10
0.402
EDJ-MED-97c1bf5c-1
0.402
EDJ-MED-49816e9b-2
0.400
ALP-POS-95b75b4d-8
0.400
VLA-UNK-411a133b-1
0.400
EDG-MED-0da5ad92-21
0.400
JAG-UCB-a3ef7265-17
0.400
EDG-MED-0da5ad92-16
0.400
PET-UNK-158bee2a-3
0.400
JAG-UCB-a3ef7265-15
0.400
SAM-UNK-2684b532-13
0.400
NAU-LAT-e1818702-7
0.400
EDG-MED-0da5ad92-17
0.398
EDJ-MED-50fe53e8-3
0.395
EDG-MED-0da5ad92-12
0.395
EDJ-MED-49816e9b-5
0.395
EDG-MED-0da5ad92-14
0.395
JIN-POS-6dc588a4-18
0.393
RUB-POS-1325a9ea-9
0.393
MIC-UNK-50cce87d-4
0.393
PET-UNK-158bee2a-4
0.392
EDG-MED-0da5ad92-2
0.392
JAN-GHE-5a013bed-11
0.392
EDJ-MED-97c1bf5c-2
0.391
BEN-DND-02317c5c-9
0.391
EDJ-MED-50fe53e8-4
0.391
JIN-POS-6dc588a4-17
0.391
TRY-UNI-714a760b-6
0.390
EDG-MED-0da5ad92-15
0.390
PET-UNK-8df914d1-3
0.390
EDG-MED-0da5ad92-18
0.386
BEN-DND-02317c5c-8
0.384
PET-UNK-e44ffd04-1
0.384
NAU-LAT-a5c7d7cb-12
0.384
RUB-POS-1325a9ea-15
0.382
MAT-POS-f7918075-8
0.382
JAN-GHE-5a013bed-5
0.382
TRY-UNI-714a760b-3
0.381
AGN-NEW-c7b24fe3-4
0.381
AGN-NEW-c7b24fe3-5
0.381
NAU-LAT-e1818702-10
0.380
JAN-GHE-5a013bed-7
0.380
ALP-POS-95b75b4d-6
0.378
NAU-LAT-e1818702-1
0.376
JAN-GHE-f4ca5a00-12
0.376
PET-UNK-b38839dc-2
0.376
PET-UNK-e274cad4-6
0.375
PET-UNK-7fb4f80a-1
0.375