Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nn1cn[nH]c1=O |
| MW: | 252.04 |
| Fraction sp3: | 0.1 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 79.78 |
| cLogP: | 0.54 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1613844041 |
| Enamine Extended REAL: | s_527____8201242____3020520 |
| MolPort: | MolPort-047-551-615 |
| Activity Data | |
| Average Inhibition @ 20 µM - Fluorescence: | 0.4051425 |
| Average Inhibition @ 50 µM - Fluorescence: | 0.786645235 |
| Average Inhibition @ 50 µM - RapidFire: | 7.935 |
| Relative Solubility @ 20 µM: | 1.0 |
| Relative Solubility @ 100 µM: | 1.01 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-24 |
Singel acyclic N-N bonds
ALE-HEI-f28a35b5-9
JAN-GHE-5a013bed-5
0.542
JAN-GHE-5a013bed-3
0.521
JAN-GHE-5a013bed-2
0.507
JAN-GHE-f4ca5a00-16
0.507
JAN-GHE-f4ca5a00-14
0.500
JAN-GHE-5a013bed-1
0.470
MIC-UNK-d935700b-1
0.444
EDG-MED-0da5ad92-21
0.441
MIC-UNK-66895286-1
0.433
JAN-GHE-5a013bed-11
0.433
JAN-GHE-5a013bed-9
0.424
JAG-UCB-a3ef7265-17
0.420
PET-UNK-8df914d1-4
0.420
NAU-LAT-e1818702-7
0.420
JOH-UNI-6fede743-3
0.419
MAT-POS-bfb445d4-2
0.419
MAT-POS-bb423b95-6
0.419
JAN-GHE-f4ca5a00-17
0.419
ALP-POS-8b8a49e1-7
0.418
NAU-LAT-e1818702-10
0.418
JAN-GHE-5a013bed-7
0.418
MIC-UNK-42806bd5-1
0.412
ALP-POS-90e38439-2
0.412
EDG-MED-0da5ad92-2
0.412
MAT-POS-500ca5bf-2
0.412
NAU-LAT-e1818702-9
0.408
EDJ-MED-c8e7a002-13
0.408
EDJ-MED-c8e7a002-14
0.408
ALP-POS-8b8a49e1-5
0.406
MIC-UNK-42806bd5-2
0.406
ALP-POS-90e38439-3
0.406
MIC-UNK-fc94cdb5-1
0.406
JAN-GHE-5a013bed-6
0.403
MIC-UNK-d935700b-2
0.403
EDJ-MED-c8e7a002-10
0.403
VLA-UCB-00f2c2b3-7
0.400
JAG-UCB-a3ef7265-15
0.400
EDJ-MED-c8e7a002-12
0.395
EDJ-MED-49816e9b-3
0.394
EDJ-MED-49816e9b-5
0.394
NAU-LAT-e1818702-1
0.392
JAN-GHE-f4ca5a00-12
0.392
JAN-GHE-5a013bed-8
0.391
EDJ-MED-c8e7a002-5
0.390
NAU-LAT-a5c7d7cb-11
0.390
PET-UNK-8df914d1-3
0.389
EDG-MED-0da5ad92-15
0.389
MAT-POS-0bc33984-2
0.389
EDJ-MED-c8e7a002-6
0.388
PET-UNK-8df914d1-5
0.387
JAN-GHE-5a013bed-10
0.386
EDJ-MED-c8e7a002-9
0.385
MAT-POS-199e2e7c-2
0.385
MIC-UNK-4c7b8ba7-1
0.384
ALP-POS-8b8a49e1-8
0.384
NAM-UNK-f7c77a48-3
0.382
EDJ-MED-c8e7a002-11
0.382
NAU-LAT-a5c7d7cb-10
0.382
EDG-MED-0da5ad92-13
0.380
EDG-MED-0da5ad92-16
0.380
EDJ-MED-49816e9b-2
0.380
SAM-UNK-2684b532-13
0.380
ALP-POS-95b75b4d-8
0.380
EDJ-MED-c8e7a002-2
0.380
EDJ-MED-c8e7a002-15
0.380
TRY-UNI-714a760b-3
0.378
MAT-POS-0bc33984-1
0.378
VLA-UCB-1dbca3b4-1
0.377
EDJ-MED-50fe53e8-3
0.377
MAT-POS-4211dce8-1
0.377
NAU-LAT-a5c7d7cb-13
0.377
ALP-POS-90e38439-1
0.377
MIC-UNK-13557a72-1
0.375
EDG-MED-0da5ad92-12
0.375
ALP-POS-95b75b4d-6
0.375
EDG-MED-0da5ad92-14
0.375
MAK-UNK-6ca90168-23
0.373
MAT-POS-0c8fa4a7-4
0.372
NAU-LAT-e1818702-8
0.372
EDJ-MED-c8e7a002-3
0.370
TRY-UNI-714a760b-6
0.370
EDJ-MED-c8e7a002-17
0.367
EDJ-MED-c8e7a002-7
0.367
EDJ-MED-c8e7a002-8
0.367
EDJ-MED-c8e7a002-16
0.367
SAD-SAT-b55127ae-1
0.366
ABI-SAT-4d06482b-2
0.365
EDG-MED-0da5ad92-18
0.365
PET-UNK-e44ffd04-1
0.364
NAU-LAT-a5c7d7cb-12
0.364
MIC-UNK-8373f97b-5
0.364
ALP-POS-cd485364-1
0.362
MAT-POS-f7918075-4
0.362
MAT-POS-f7918075-8
0.362
EDJ-MED-a364e151-2
0.362
MIC-UNK-8971c93c-1
0.362
JOH-UNI-abfda500-5
0.360
JOH-UNI-abfda500-4
0.360
AGN-NEW-c7b24fe3-5
0.360
JAN-GHE-83b26c96-15
0.360