Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnns1 |
| MW: | 253.01 |
| Fraction sp3: | 0.1 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 2.37 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine BB: | FCH7481068 |
| Enamine SCR: | Z1791179504 |
| Enamine REAL: | Z1791179504 |
| Enamine Extended REAL: | s_22____9099838____3020518 |
| Mcule: | MCULE-5002027596 |
| MolPort: | MolPort-038-964-485 |
| Activity Data | |
| Average Inhibition @ 20 µM - Fluorescence: | 4.1201535 |
| Average Inhibition @ 50 µM - Fluorescence: | 3.342711 |
| Average Inhibition @ 50 µM - RapidFire: | 48.6637348164891 |
| Relative Solubility @ 20 µM: | 0.99 |
| Relative Solubility @ 100 µM: | 0.99 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-01 |
ALE-HEI-f28a35b5-9
JAN-GHE-5a013bed-7
0.542
NAU-LAT-e1818702-10
0.542
JAN-GHE-5a013bed-9
0.525
EDG-MED-0da5ad92-16
0.516
JAN-GHE-5a013bed-8
0.508
MIC-UNK-66895286-1
0.508
EDG-MED-0da5ad92-2
0.508
JAN-GHE-5a013bed-10
0.500
PET-UNK-8df914d1-3
0.500
EDG-MED-0da5ad92-15
0.500
PET-UNK-8df914d1-4
0.492
SAM-UNK-2684b532-13
0.492
ALP-POS-95b75b4d-8
0.492
JAG-UCB-a3ef7265-17
0.492
EDG-MED-0da5ad92-13
0.492
EDG-MED-0da5ad92-21
0.492
NAU-LAT-e1818702-7
0.492
ALP-POS-95b75b4d-6
0.484
EDJ-MED-49816e9b-3
0.484
EDG-MED-0da5ad92-12
0.484
JAN-GHE-5a013bed-11
0.484
TRY-UNI-714a760b-6
0.477
JAN-GHE-5a013bed-5
0.475
ABI-SAT-4d06482b-2
0.470
EDG-MED-0da5ad92-18
0.470
EDJ-MED-49816e9b-2
0.469
JAG-UCB-a3ef7265-15
0.469
ALP-POS-95b75b4d-7
0.464
TRY-UNI-714a760b-3
0.463
ANN-UNI-98d2bf15-3
0.463
EDG-MED-0da5ad92-17
0.463
EDJ-MED-49816e9b-5
0.462
EDG-MED-0da5ad92-14
0.462
NAU-LAT-e1818702-1
0.456
MAK-UNK-6ca90168-23
0.456
JAN-GHE-f4ca5a00-12
0.456
MAT-POS-3cc264b0-1
0.451
EDJ-MED-50fe53e8-2
0.451
MAT-POS-f7918075-6
0.451
EDJ-MED-50fe53e8-1
0.451
SAM-UNK-2684b532-11
0.449
PET-UNK-8df914d1-5
0.449
MAT-POS-bb423b95-5
0.449
MIC-UNK-d935700b-1
0.449
SAM-UNK-2684b532-12
0.449
MIC-UNK-50cce87d-3
0.444
ALP-POS-3b848b35-3
0.443
VLA-UCB-00f2c2b3-7
0.443
ADA-UCB-6c2cb422-1
0.443
AGN-NEW-c7b24fe3-4
0.441
AGN-NEW-c7b24fe3-5
0.441
MAT-POS-f7918075-8
0.438
PET-UNK-8df914d1-2
0.437
ALP-POS-95b75b4d-5
0.437
MIC-UNK-50cce87d-2
0.437
MAT-POS-bb423b95-1
0.437
MAT-POS-bb423b95-9
0.437
MAT-POS-bb423b95-4
0.437
EDJ-MED-c8e7a002-12
0.437
AGN-NEW-c7b24fe3-1
0.435
MIC-UNK-50cce87d-4
0.432
NAU-LAT-e1818702-9
0.431
EDJ-MED-a364e151-3
0.431
EDJ-MED-50fe53e8-4
0.431
ALP-POS-0c2c77e1-1
0.431
MAT-POS-bb423b95-3
0.431
NAU-LAT-e1818702-8
0.431
EDJ-MED-c8e7a002-7
0.425
EDJ-MED-c8e7a002-16
0.425
MAT-POS-199e2e7c-2
0.425
MAT-POS-199e2e7c-1
0.425
EDJ-MED-c8e7a002-10
0.425
MIC-UNK-50cce87d-1
0.425
MAT-POS-bb423b95-8
0.425
MAT-POS-bb423b95-2
0.425
MIC-UNK-d935700b-2
0.425
MAT-POS-f7918075-5
0.425
NAU-LAT-a5c7d7cb-10
0.423
PET-UNK-e44ffd04-1
0.423
EDJ-MED-c8e7a002-11
0.423
NAU-LAT-a5c7d7cb-12
0.423
MIC-UNK-8971c93c-1
0.419
MIC-UNK-08cd9c58-1
0.419
EDJ-MED-a364e151-1
0.419
EDJ-MED-a364e151-2
0.419
EDJ-MED-c8e7a002-2
0.419
MAT-POS-f7918075-4
0.419
MAT-POS-f7918075-3
0.419
EDJ-MED-c8e7a002-15
0.419
EDJ-MED-50fe53e8-3
0.417
EDJ-MED-c8e7a002-4
0.413
MAT-POS-f7918075-7
0.413
EDJ-MED-c8e7a002-14
0.411
EDJ-MED-c8e7a002-13
0.411
NAU-LAT-a5c7d7cb-11
0.411
JAN-GHE-5a013bed-1
0.409
MIC-UNK-fc94cdb5-1
0.409
MIC-UNK-42806bd5-2
0.409
ALP-POS-8b8a49e1-5
0.409
ALP-POS-90e38439-3
0.409