Molecule Details
| Molecular Properties | |
| SMILES: | Cn1cncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 249.07 |
| Fraction sp3: | 0.17 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.92 |
| cLogP: | 2.25 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 93.8839238811251 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-07-30 |
| Synthesis Location: | enamine |
| Shipped: | 2020-08-19 |
PET-UNK-8df914d1-5
0.600
BEN-DND-1e24cf73-1
0.582
BEN-DND-1e24cf73-2
0.563
BEN-DND-1e24cf73-6
0.562
NAU-LAT-e1818702-7
0.556
JAG-UCB-a3ef7265-17
0.556
BEN-DND-1e24cf73-5
0.542
BEN-DND-1e24cf73-4
0.533
VLA-UNK-411a133b-1
0.531
EDJ-MED-49816e9b-3
0.523
EDJ-MED-b24713dc-2
0.522
EDJ-MED-6e43a462-6
0.521
JAN-GHE-5a013bed-9
0.516
JAN-GHE-5a013bed-10
0.516
VLA-UNK-411a133b-2
0.516
EDJ-MED-b24713dc-3
0.514
NAU-LAT-e1818702-10
0.508
JAN-GHE-5a013bed-7
0.508
EDG-MED-0da5ad92-16
0.508
JAG-UCB-a3ef7265-15
0.508
PET-UNK-e274cad4-6
0.507
BEN-DND-1e24cf73-3
0.507
EDJ-MED-b24713dc-4
0.507
EDJ-MED-6e43a462-12
0.507
EDG-MED-0da5ad92-2
0.500
EDG-MED-0da5ad92-12
0.500
BEN-DND-1e24cf73-7
0.500
EDJ-MED-49816e9b-5
0.500
JAN-GHE-5a013bed-8
0.500
EDJ-MED-6e43a462-5
0.500
EDJ-MED-6e43a462-13
0.493
EDJ-MED-6e43a462-3
0.493
EDJ-MED-b24713dc-1
0.493
PET-UNK-8df914d1-2
0.493
EDJ-MED-6e43a462-9
0.493
TRY-UNI-714a760b-6
0.493
PET-UNK-8df914d1-3
0.493
JAN-GHE-5a013bed-6
0.492
EDJ-MED-6e43a462-11
0.486
EDJ-MED-6e43a462-7
0.486
MAT-POS-bb423b95-5
0.486
ABI-SAT-4d06482b-2
0.485
EDG-MED-0da5ad92-21
0.485
SAM-UNK-2684b532-13
0.485
ALP-POS-95b75b4d-8
0.485
PET-UNK-158bee2a-3
0.485
EDG-MED-0da5ad92-13
0.485
EDJ-MED-6e43a462-4
0.479
EDJ-MED-076d6e64-1
0.479
TRY-UNI-714a760b-3
0.478
ALP-POS-95b75b4d-6
0.478
MIC-UNK-66895286-1
0.477
PET-UNK-158bee2a-4
0.477
EDJ-MED-6e43a462-2
0.474
EDJ-MED-6e43a462-10
0.473
RUB-POS-1325a9ea-8
0.473
RUB-POS-1325a9ea-15
0.473
EDJ-MED-6e43a462-8
0.473
MAT-POS-4211dce8-1
0.472
EDG-MED-0da5ad92-15
0.471
PET-UNK-158bee2a-2
0.469
JAN-GHE-5a013bed-5
0.468
EDJ-MED-6e43a462-1
0.468
PET-UNK-e274cad4-1
0.467
RUB-POS-1325a9ea-14
0.467
NAU-LAT-a5c7d7cb-11
0.466
RUB-POS-1325a9ea-19
0.465
SAM-UNK-2684b532-11
0.465
JIN-POS-6dc588a4-3
0.465
EDJ-MED-49816e9b-2
0.463
ANN-UNI-98d2bf15-3
0.457
JOH-UNI-abfda500-4
0.457
EDG-MED-0da5ad92-17
0.457
JOH-UNI-abfda500-5
0.457
EDG-MED-0da5ad92-14
0.456
JAN-GHE-5a013bed-11
0.455
MAT-POS-bb423b95-4
0.452
ALP-POS-95b75b4d-5
0.452
MIC-UNK-50cce87d-2
0.452
EDJ-MED-6ab52e52-1
0.452
JIN-POS-6dc588a4-9
0.452
MAK-UNK-6ca90168-23
0.451
NAU-LAT-e1818702-1
0.451
JAN-GHE-f4ca5a00-12
0.451
JIN-POS-6dc588a4-6
0.446
JIN-POS-6dc588a4-22
0.446
EDJ-MED-a364e151-3
0.446
JIN-POS-6dc588a4-4
0.444
SAM-UNK-2684b532-12
0.444
MIC-UNK-d935700b-1
0.444
EDG-MED-0da5ad92-18
0.443
EDJ-MED-c8e7a002-6
0.442
MIC-UNK-f2576da4-1
0.442
MIC-UNK-50cce87d-3
0.440
RUB-POS-1325a9ea-5
0.440
JIN-POS-6dc588a4-16
0.440
PET-UNK-b1ef24dc-3
0.440
RUB-POS-1325a9ea-3
0.440
MAT-POS-199e2e7c-1
0.440
JAN-GHE-f4ca5a00-14
0.438