Molecule Details
| Molecular Properties | |
| SMILES: | COc1cccc2ncc(NC(=O)Cc3cccc(Cl)c3)n12 |
| 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: | 99.5 |
| Order Status | |
| Ordered: | 2021-06-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-07-21 |
EDJ-MED-b24713dc-2
0.681
EDJ-MED-6e43a462-1
0.570
EDJ-MED-6e43a462-2
0.557
PET-UNK-8df914d1-2
0.519
EDJ-MED-6e43a462-7
0.513
BEN-DND-1e24cf73-7
0.506
EDJ-MED-b24713dc-1
0.500
EDJ-MED-b24713dc-3
0.500
EDJ-MED-6e43a462-9
0.500
EDJ-MED-6e43a462-12
0.494
PET-UNK-8df914d1-4
0.493
EDJ-MED-6e43a462-5
0.487
EDJ-MED-6e43a462-6
0.487
EDJ-MED-6e43a462-13
0.482
EDJ-MED-6e43a462-10
0.481
EDJ-MED-6e43a462-8
0.481
BEN-DND-1e24cf73-3
0.475
BEN-DND-1e24cf73-6
0.471
EDJ-MED-6e43a462-4
0.469
EDJ-MED-b24713dc-4
0.458
BEN-DND-1e24cf73-4
0.448
EDJ-MED-49816e9b-3
0.447
EDJ-MED-6e43a462-11
0.440
JAN-GHE-5a013bed-9
0.438
PET-UNK-8df914d1-5
0.438
JIN-POS-6dc588a4-3
0.438
EDG-MED-0da5ad92-13
0.434
JIN-POS-6dc588a4-23
0.429
BEN-DND-1e24cf73-1
0.427
JAN-GHE-5a013bed-8
0.427
MIC-UNK-66895286-1
0.427
EDG-MED-0da5ad92-15
0.423
VLA-UNK-411a133b-2
0.421
PET-UNK-f4e47ebd-1
0.420
EDJ-MED-97c1bf5c-2
0.420
PET-UNK-f4e47ebd-2
0.420
JAN-GHE-5a013bed-6
0.419
BEN-DND-1e24cf73-2
0.419
ABI-SAT-4d06482b-2
0.418
EDJ-MED-97c1bf5c-1
0.416
EDJ-MED-7bb79bc5-1
0.416
EDG-MED-0da5ad92-21
0.416
EDJ-MED-49816e9b-2
0.416
NAU-LAT-e1818702-7
0.416
JAG-UCB-a3ef7265-17
0.416
VLA-UNK-411a133b-1
0.416
JAG-UCB-a3ef7265-15
0.416
PET-UNK-158bee2a-3
0.416
ALP-POS-95b75b4d-8
0.416
SAM-UNK-2684b532-13
0.416
EDG-MED-0da5ad92-16
0.416
PET-UNK-8df914d1-1
0.414
EDJ-MED-00c1612e-1
0.414
EDG-MED-0da5ad92-17
0.412
EDJ-MED-c8e7a002-2
0.412
EDG-MED-0da5ad92-14
0.410
EDJ-MED-49816e9b-5
0.410
EDG-MED-0da5ad92-12
0.410
MAT-POS-c20a539d-1
0.409
PET-UNK-158bee2a-4
0.408
EDG-MED-0da5ad92-2
0.408
JIN-POS-6dc588a4-18
0.407
MIC-UNK-50cce87d-4
0.407
RUB-POS-1325a9ea-9
0.407
PET-UNK-8df914d1-3
0.405
TRY-UNI-714a760b-6
0.405
JIN-POS-6dc588a4-6
0.405
JOH-UNI-6fede743-4
0.405
JAN-GHE-5a013bed-10
0.403
RUB-POS-1325a9ea-19
0.402
BEN-DND-1e24cf73-5
0.402
MAT-POS-c20a539d-2
0.402
EDJ-MED-c8e7a002-3
0.402
JIN-POS-6dc588a4-10
0.400
EDG-MED-0da5ad92-18
0.400
PET-UNK-158bee2a-2
0.400
EDJ-MED-c8e7a002-1
0.398
NAU-LAT-a5c7d7cb-12
0.398
PET-UNK-e44ffd04-1
0.398
BEN-DND-02317c5c-8
0.398
RUB-POS-1325a9ea-8
0.395
AGN-NEW-c7b24fe3-5
0.395
TRY-UNI-714a760b-3
0.395
AGN-NEW-c7b24fe3-4
0.395
NAU-LAT-e1818702-10
0.395
JAN-GHE-5a013bed-7
0.395
JIN-POS-6dc588a4-9
0.393
EDJ-MED-50fe53e8-3
0.393
ALP-POS-95b75b4d-6
0.392
JAN-GHE-5a013bed-11
0.390
CAR-UNK-140e3209-1
0.389
PET-UNK-b38839dc-2
0.389
BEN-DND-02317c5c-9
0.388
EDJ-MED-50fe53e8-4
0.388
JIN-POS-6dc588a4-17
0.388
PET-UNK-e274cad4-6
0.388
MIC-UNK-f2576da4-1
0.386
MIC-UNK-d935700b-1
0.386
MAT-POS-bb423b95-5
0.386
MAT-POS-29385cc1-2
0.385