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
NAU-LAT-e1818702-10
0.542
JAN-GHE-5a013bed-7
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JAN-GHE-5a013bed-9
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EDG-MED-0da5ad92-16
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EDG-MED-0da5ad92-2
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MIC-UNK-66895286-1
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JAN-GHE-5a013bed-8
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JAN-GHE-5a013bed-10
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PET-UNK-8df914d1-3
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EDG-MED-0da5ad92-15
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NAU-LAT-e1818702-7
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EDG-MED-0da5ad92-21
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SAM-UNK-2684b532-13
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JAG-UCB-a3ef7265-17
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EDG-MED-0da5ad92-13
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ALP-POS-95b75b4d-8
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PET-UNK-8df914d1-4
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EDG-MED-0da5ad92-12
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ALP-POS-95b75b4d-6
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EDJ-MED-49816e9b-3
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JAN-GHE-5a013bed-11
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TRY-UNI-714a760b-6
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JAN-GHE-5a013bed-5
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EDG-MED-0da5ad92-18
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ABI-SAT-4d06482b-2
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JAG-UCB-a3ef7265-15
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EDJ-MED-49816e9b-2
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ALP-POS-95b75b4d-7
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JOH-UNI-abfda500-4
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JOH-UNI-abfda500-5
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ANN-UNI-98d2bf15-3
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EDG-MED-0da5ad92-17
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TRY-UNI-714a760b-3
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EDG-MED-0da5ad92-14
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EDJ-MED-49816e9b-5
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MAK-UNK-6ca90168-23
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NAU-LAT-e1818702-1
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JAN-GHE-f4ca5a00-12
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MAT-POS-3cc264b0-1
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EDJ-MED-50fe53e8-1
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MAT-POS-f7918075-6
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EDJ-MED-50fe53e8-2
0.451
MAT-POS-bb423b95-5
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MIC-UNK-d935700b-1
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SAM-UNK-2684b532-12
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PET-UNK-8df914d1-5
0.449
SAM-UNK-2684b532-11
0.449
MIC-UNK-50cce87d-3
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VLA-UCB-00f2c2b3-7
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ALP-POS-3b848b35-3
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ADA-UCB-6c2cb422-1
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AGN-NEW-c7b24fe3-5
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AGN-NEW-c7b24fe3-4
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MAT-POS-f7918075-8
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PET-UNK-8df914d1-2
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EDJ-MED-c8e7a002-12
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ALP-POS-95b75b4d-5
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MAT-POS-bb423b95-4
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MIC-UNK-50cce87d-2
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MAT-POS-bb423b95-9
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MAT-POS-bb423b95-1
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AGN-NEW-c7b24fe3-1
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MIC-UNK-50cce87d-4
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JOH-UNI-3fc3434e-8
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JOH-UNI-ee5ed7c8-8
0.432
EDJ-MED-a364e151-3
0.431
MAT-POS-bb423b95-3
0.431
JOH-UNI-6fede743-4
0.431
NAU-LAT-e1818702-8
0.431
NAU-LAT-e1818702-9
0.431
ALP-POS-0c2c77e1-1
0.431
EDJ-MED-50fe53e8-4
0.431
EDJ-MED-c8e7a002-7
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MAT-POS-199e2e7c-1
0.425
MAT-POS-199e2e7c-2
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MIC-UNK-d935700b-2
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EDJ-MED-c8e7a002-10
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MIC-UNK-50cce87d-1
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JOH-UNI-6fede743-1
0.425
MAT-POS-bb423b95-8
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EDJ-MED-c8e7a002-16
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MAT-POS-bb423b95-2
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MAT-POS-f7918075-5
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NAU-LAT-a5c7d7cb-10
0.423
NAU-LAT-a5c7d7cb-12
0.423
PET-UNK-e44ffd04-1
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EDJ-MED-c8e7a002-11
0.423
EDJ-MED-c8e7a002-15
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EDJ-MED-a364e151-1
0.419
EDJ-MED-c8e7a002-2
0.419
MIC-UNK-8971c93c-1
0.419
JOH-UNI-6fede743-2
0.419
EDJ-MED-a364e151-2
0.419
MAT-POS-f7918075-4
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MAT-POS-f7918075-3
0.419
MIC-UNK-08cd9c58-1
0.419
EDJ-MED-50fe53e8-3
0.417
EDJ-MED-c8e7a002-4
0.413
MAT-POS-f7918075-7
0.413
NAU-LAT-a5c7d7cb-11
0.411