Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nn1cnnc1 |
| MW: | 236.05 |
| Fraction sp3: | 0.1 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.81 |
| cLogP: | 1.24 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine BB: | FCH13527132 |
| Enamine REAL: | Z1613796925 |
| Enamine Extended REAL: | s_22____8252126____3020518 |
| Mcule: | MCULE-2295190286 |
| MolPort: | MolPort-047-551-614 |
| Activity Data | |
| Average Inhibition @ 20 µM - Fluorescence: | -9.88339 |
| Average Inhibition @ 50 µM - Fluorescence: | -21.628234 |
| Relative Solubility @ 20 µM: | 1.0 |
| Relative Solubility @ 100 µM: | 1.0 |
| 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-4
0.542
JAN-GHE-5a013bed-1
0.525
JAN-GHE-f4ca5a00-16
0.516
JAN-GHE-5a013bed-2
0.492
NAU-LAT-e1818702-7
0.492
JAG-UCB-a3ef7265-17
0.492
NAU-LAT-e1818702-10
0.492
JAN-GHE-5a013bed-7
0.492
JAN-GHE-5a013bed-3
0.485
JAN-GHE-f4ca5a00-17
0.485
JAN-GHE-f4ca5a00-14
0.485
JAN-GHE-5a013bed-6
0.475
PET-UNK-8df914d1-4
0.468
MAT-POS-bfb445d4-2
0.463
EDJ-MED-49816e9b-3
0.460
NAU-LAT-e1818702-1
0.455
JAN-GHE-f4ca5a00-12
0.455
EDG-MED-0da5ad92-15
0.453
JAN-GHE-5a013bed-9
0.450
NAU-LAT-a5c7d7cb-11
0.449
EDG-MED-0da5ad92-16
0.444
JAG-UCB-a3ef7265-15
0.444
ALP-POS-8b8a49e1-7
0.443
MIC-UNK-13557a72-1
0.438
EDJ-MED-49816e9b-5
0.438
JAN-GHE-5a013bed-8
0.435
MIC-UNK-66895286-1
0.435
JAN-GHE-5a013bed-11
0.435
EDG-MED-0da5ad92-2
0.435
MIC-UNK-42806bd5-2
0.429
ALP-POS-90e38439-3
0.429
JAN-GHE-5a013bed-10
0.429
NAU-LAT-e1818702-8
0.429
SAD-SAT-b55127ae-1
0.429
NAU-LAT-e1818702-9
0.429
ALP-POS-8b8a49e1-5
0.429
PET-UNK-8df914d1-5
0.426
NAM-UNK-f7c77a48-3
0.426
ABI-SAT-4d06482b-2
0.424
EDJ-MED-c8e7a002-7
0.423
EDJ-MED-49816e9b-2
0.422
EDG-MED-0da5ad92-21
0.422
SAM-UNK-2684b532-13
0.422
ALP-POS-95b75b4d-8
0.422
EDG-MED-0da5ad92-13
0.422
ADA-UCB-6c2cb422-1
0.420
AGN-NEW-c7b24fe3-5
0.418
EDG-MED-0da5ad92-12
0.415
ALP-POS-95b75b4d-6
0.415
EDG-MED-0da5ad92-14
0.415
EDJ-MED-50fe53e8-3
0.414
MAT-POS-500ca5bf-2
0.413
MIC-UNK-42806bd5-1
0.413
ALP-POS-90e38439-2
0.413
EDJ-MED-c8e7a002-4
0.411
PET-UNK-8df914d1-3
0.409
TRY-UNI-714a760b-6
0.409
EDJ-MED-50fe53e8-2
0.408
MAT-POS-f7918075-6
0.408
EDJ-MED-50fe53e8-1
0.408
MAT-POS-3cc264b0-1
0.408
MIC-UNK-fc94cdb5-1
0.406
MAT-POS-0c8fa4a7-3
0.406
MIC-UNK-b12b7f76-2
0.406
ALP-POS-8b8a49e1-8
0.403
EDG-MED-0da5ad92-18
0.403
EDJ-MED-c8e7a002-8
0.403
EDJ-MED-c8e7a002-17
0.403
MAT-POS-bb423b95-6
0.400
EDJ-MED-c8e7a002-11
0.400
NAU-LAT-a5c7d7cb-10
0.400
JOH-UNI-6fede743-3
0.400
PET-UNK-e44ffd04-1
0.400
NAU-LAT-a5c7d7cb-12
0.400
EDG-MED-0da5ad92-1
0.397
ANN-UNI-98d2bf15-3
0.397
AGN-NEW-c7b24fe3-4
0.397
EDG-MED-0da5ad92-17
0.397
JOH-UNI-abfda500-5
0.397
JOH-UNI-abfda500-4
0.397
JAN-GHE-83b26c96-15
0.397
TRY-UNI-714a760b-3
0.397
MAT-POS-4211dce8-1
0.394
MAT-POS-bb423b95-9
0.394
PET-UNK-8df914d1-2
0.394
MAK-UNK-6ca90168-23
0.391
AGN-NEW-c7b24fe3-1
0.391
EDJ-MED-50fe53e8-4
0.389
JOH-UNI-6fede743-4
0.389
MAT-POS-0c8fa4a7-4
0.389
ALP-POS-6495d03e-7
0.389
MAT-POS-0bc33984-2
0.388
EDJ-MED-c8e7a002-6
0.387
MIC-UNK-67d4a29a-3
0.387
MAT-POS-bb423b95-5
0.386
SAM-UNK-2684b532-11
0.386
SAM-UNK-2684b532-12
0.386
MIC-UNK-d935700b-1
0.386
JOH-UNI-6fede743-1
0.384
MAT-POS-bb423b95-2
0.384