Molecule Details
| Molecular Properties | |
| SMILES: | Cc1nnn(NC(=O)Cc2cccc(Cl)c2)c1C |
| MW: | 264.08 |
| Fraction sp3: | 0.25 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.81 |
| cLogP: | 1.86 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z2917057197 |
| Enamine Extended REAL: | s_22____12890528____3020518 |
| MolPort: | MolPort-047-558-920 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 14.1625652028387 |
| IC50 (µM) - RapidFire: | 73.3563140602343 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
Singel acyclic N-N bonds
ALE-HEI-f28a35b5-9
MAT-POS-bfb445d4-2
0.552
EDJ-MED-49816e9b-5
0.531
JAN-GHE-5a013bed-5
0.525
JAN-GHE-f4ca5a00-17
0.507
VLA-UNK-411a133b-2
0.500
JAG-UCB-a3ef7265-15
0.470
JAN-GHE-5a013bed-4
0.470
VLA-UNK-411a133b-1
0.470
JAN-GHE-5a013bed-7
0.469
NAU-LAT-e1818702-10
0.469
EDG-MED-0da5ad92-15
0.456
JAN-GHE-f4ca5a00-16
0.451
JAG-UCB-a3ef7265-17
0.448
EDJ-MED-49816e9b-2
0.448
NAU-LAT-e1818702-7
0.448
PET-UNK-158bee2a-3
0.448
EDJ-MED-49816e9b-3
0.441
EDG-MED-0da5ad92-14
0.441
PET-UNK-8df914d1-3
0.435
JAN-GHE-5a013bed-2
0.431
ABI-SAT-4d06482b-2
0.429
EDG-MED-0da5ad92-18
0.429
JAN-GHE-5a013bed-3
0.427
EDG-MED-0da5ad92-13
0.426
PET-UNK-8df914d1-4
0.426
EDG-MED-0da5ad92-16
0.426
EDG-MED-0da5ad92-21
0.426
JAN-GHE-f4ca5a00-14
0.425
EDJ-MED-b24713dc-1
0.421
EDG-MED-0da5ad92-12
0.420
VLA-UNK-dc1d9354-1
0.419
PET-UNK-158bee2a-4
0.418
JAN-GHE-5a013bed-11
0.418
MIC-UNK-66895286-1
0.418
PET-UNK-f92d7c0c-4
0.418
PET-UNK-f92d7c0c-5
0.418
EDJ-MED-c8e7a002-4
0.416
TRY-UNI-714a760b-6
0.414
BEN-DND-1e24cf73-3
0.413
JAN-GHE-5a013bed-6
0.409
JAN-GHE-5a013bed-9
0.409
PET-UNK-158bee2a-2
0.409
EDJ-MED-c8e7a002-8
0.408
BEN-DND-02317c5c-8
0.405
NAU-LAT-a5c7d7cb-12
0.405
PET-UNK-e44ffd04-1
0.405
EDJ-MED-b24713dc-2
0.405
EDG-MED-0da5ad92-17
0.403
TRY-UNI-714a760b-3
0.403
MIC-UNK-13557a72-1
0.400
EDJ-MED-50fe53e8-3
0.400
EDJ-MED-b24713dc-4
0.397
NAU-LAT-e1818702-1
0.397
JAN-GHE-f4ca5a00-12
0.397
JAN-GHE-5a013bed-8
0.397
EDG-MED-0da5ad92-2
0.397
EDJ-MED-50fe53e8-1
0.395
PET-UNK-e274cad4-6
0.395
MAT-POS-3cc264b0-1
0.395
NAU-LAT-e1818702-9
0.395
EDJ-MED-c8e7a002-6
0.392
JIN-POS-6dc588a4-5
0.392
MIC-UNK-d935700b-1
0.392
JAN-GHE-5a013bed-10
0.391
EDJ-MED-6e43a462-4
0.390
EDJ-MED-c8e7a002-7
0.390
EDJ-MED-c8e7a002-17
0.390
NAM-UNK-f7c77a48-3
0.388
NAM-UNK-f7c77a48-4
0.386
SAM-UNK-2684b532-13
0.386
ALP-POS-95b75b4d-8
0.386
EDJ-MED-b24713dc-3
0.385
DAR-DIA-56cf811e-2
0.385
ANN-UNI-98d2bf15-3
0.384
JAN-GHE-83b26c96-15
0.384
EDG-MED-0da5ad92-1
0.384
JOH-UNI-abfda500-5
0.384
ALP-POS-8b8a49e1-7
0.382
JIN-POS-6dc588a4-9
0.382
PET-UNK-8df914d1-2
0.382
PET-UNK-f92d7c0c-1
0.380
PET-UNK-f92d7c0c-6
0.380
ALP-POS-95b75b4d-6
0.380
VLA-UNK-4cf5aa07-2
0.378
EDJ-MED-97c1bf5c-2
0.378
MIC-UNK-42806bd5-1
0.377
ALP-POS-90e38439-2
0.377
MAT-POS-500ca5bf-2
0.377
EDJ-MED-50fe53e8-4
0.377
EDJ-MED-6e43a462-7
0.377
BEN-DND-02317c5c-9
0.377
JIN-POS-6dc588a4-17
0.377
NAU-LAT-a5c7d7cb-11
0.377
NAU-LAT-e1818702-8
0.377
BEN-DND-1e24cf73-2
0.375
MAT-POS-0bc33984-2
0.375
RUB-POS-1325a9ea-19
0.373
SAM-UNK-2684b532-11
0.373
PET-UNK-8df914d1-5
0.373
MAT-POS-bb423b95-5
0.373