Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nn1nnc2ccccc21 |
| MW: | 286.06 |
| Fraction sp3: | 0.07 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.81 |
| cLogP: | 2.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 5.80242437708152 |
| IC50 (µM) - RapidFire: | 31.0430348120063 |
| Order Status | |
| Ordered: | 2020-09-09 |
| Synthesis Location: | enamine |
| Shipped: | 2020-10-01 |
Singel acyclic N-N bonds
ALP-POS-c59291d4-2
VLA-UNK-dc1d9354-1
JAN-GHE-5a013bed-1
0.552
ALP-POS-8ed8d9ec-15
0.549
JAN-GHE-5a013bed-2
0.521
JAN-GHE-f4ca5a00-17
0.493
ALP-POS-a3de0cb1-13
0.484
MAT-POS-3b92565d-13
0.468
JAN-GHE-5a013bed-5
0.463
VLA-UNK-dc1d9354-1
0.449
JAN-GHE-5a013bed-3
0.438
JAN-GHE-f4ca5a00-16
0.423
JAN-GHE-5a013bed-4
0.419
VLA-UNK-411a133b-1
0.419
BEN-DND-02317c5c-8
0.418
PET-UNK-e44ffd04-1
0.418
NAU-LAT-a5c7d7cb-12
0.418
JAN-GHE-f4ca5a00-14
0.418
DAR-DIA-2964957d-7
0.415
EDJ-MED-50fe53e8-3
0.412
JIN-POS-6dc588a4-7
0.412
EDJ-MED-06d94977-2
0.410
NAU-LAT-a5c7d7cb-11
0.407
VLA-UNK-411a133b-2
0.405
JAN-GHE-5a013bed-9
0.403
DAR-DIA-2964957d-6
0.400
PET-UNK-158bee2a-1
0.397
VLA-UNK-4cf5aa07-1
0.397
JAN-GHE-5a013bed-7
0.397
NAU-LAT-e1818702-10
0.397
MAT-POS-3b92565d-14
0.395
BEN-DND-61647d40-12
0.395
MAT-POS-bfb445d4-1
0.395
JIN-POS-6dc588a4-9
0.395
BEN-DND-02317c5c-12
0.395
EDJ-MED-49816e9b-5
0.395
VLA-UNK-4cf5aa07-2
0.392
JAN-GHE-5a013bed-11
0.392
PET-UNK-f92d7c0c-4
0.392
PET-UNK-f92d7c0c-5
0.392
MAT-POS-f7918075-6
0.390
EDJ-MED-50fe53e8-2
0.390
EDG-MED-0da5ad92-15
0.390
PET-UNK-8df914d1-5
0.388
ALP-POS-a3de0cb1-1
0.387
ALP-POS-3b848b35-3
0.383
PET-UNK-8df914d1-4
0.382
JAG-UCB-a3ef7265-15
0.382
JAG-UCB-a3ef7265-17
0.382
NAU-LAT-e1818702-7
0.382
VLA-UCB-1dbca3b4-2
0.378
ALP-POS-95b75b4d-6
0.377
MIC-UNK-13557a72-1
0.377
JAN-GHE-f4ca5a00-12
0.375
NAU-LAT-e1818702-1
0.375
BEN-DND-02317c5c-9
0.373
EDJ-MED-50fe53e8-4
0.373
MAT-POS-3cc264b0-1
0.373
EDJ-MED-50fe53e8-1
0.373
PET-UNK-158bee2a-4
0.373
EDG-MED-0da5ad92-2
0.373
JAN-GHE-5a013bed-8
0.373
MAT-POS-0c8fa4a7-3
0.370
MIC-UNK-b12b7f76-2
0.370
JIN-POS-6dc588a4-5
0.370
JIN-POS-6dc588a4-21
0.369
JAN-GHE-5a013bed-10
0.368
EDG-MED-0da5ad92-18
0.367
EDJ-MED-c8e7a002-11
0.366
NAU-LAT-a5c7d7cb-10
0.366
RUB-POS-1325a9ea-24
0.366
ALP-POS-bad7201a-15
0.366
ALP-POS-6d04362c-2
0.366
ALP-POS-bad7201a-9
0.366
CHO-MSK-00c5269a-3
0.366
CHO-MSK-00c5269a-1
0.366
JAN-GHE-5a013bed-6
0.365
PET-UNK-158bee2a-2
0.365
NAM-UNK-f7c77a48-3
0.365
RUB-POS-1325a9ea-15
0.365
ALP-POS-95b75b4d-8
0.364
SAM-UNK-2684b532-13
0.364
EDJ-MED-49816e9b-2
0.364
PET-UNK-158bee2a-3
0.364
JOH-UNI-abfda500-5
0.362
ANN-UNI-98d2bf15-3
0.362
JOH-UNI-abfda500-4
0.362
BEN-DND-1e24cf73-1
0.361
PET-UNK-8df914d1-2
0.361
DAR-DIA-093892e4-12
0.361
EDJ-MED-c8e7a002-4
0.360
ALP-POS-8b8a49e1-7
0.360
EDJ-MED-49816e9b-3
0.359
PET-UNK-f92d7c0c-1
0.359
EDG-MED-0da5ad92-12
0.359
PET-UNK-f92d7c0c-6
0.359
BAR-COM-0f94fc3d-12
0.358
EDJ-MED-6e43a462-7
0.357
PET-UNK-e274cad4-6
0.357
NAU-LAT-e1818702-8
0.357
NAU-LAT-e1818702-9
0.357
MIC-UNK-42806bd5-1
0.355