Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cccc2[nH]ncc12 |
| MW: | 285.07 |
| Fraction sp3: | 0.07 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 57.78 |
| cLogP: | 3.4 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule Ultimate: | CYQCEAJKJVOFMS-UHFFFAOYSA-N |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 23.6029100682607 |
| Order Status | |
| Ordered: | 2020-06-20 |
| Synthesis Location: | mcule |
| Shipped: | 2020-08-12 |
![Cc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1](/static/images/loading.7a8cbb7079d7.gif)
EDG-MED-0da5ad92-21
0.567
MAT-POS-199e2e7c-2
0.554
EDJ-MED-c8e7a002-12
0.548
MIC-UNK-d935700b-1
0.521
EDG-MED-0da5ad92-16
0.500
MIC-UNK-d935700b-2
0.494
TRY-UNI-714a760b-6
0.486
JAN-GHE-5a013bed-10
0.486
SAM-UNK-2684b532-13
0.479
ALP-POS-95b75b4d-8
0.479
NAU-LAT-a5c7d7cb-10
0.474
EDJ-MED-c8e7a002-11
0.474
EDG-MED-0da5ad92-17
0.473
ALP-POS-95b75b4d-6
0.472
EDG-MED-0da5ad92-14
0.472
MIC-UNK-66895286-1
0.471
AGN-NEW-c7b24fe3-1
0.467
PET-UNK-8df914d1-3
0.466
JAN-GHE-5a013bed-9
0.464
MAT-POS-e1b5ac6b-1
0.462
MAT-POS-bb423b95-5
0.461
SAM-UNK-2684b532-11
0.461
ABI-SAT-4d06482b-2
0.459
EDJ-MED-c8e7a002-16
0.456
ADA-UCB-6c2cb422-1
0.455
AGN-NEW-c7b24fe3-4
0.453
ANN-UNI-98d2bf15-3
0.453
TRY-UNI-714a760b-3
0.453
AGN-NEW-c7b24fe3-5
0.453
JAN-GHE-5a013bed-11
0.451
MAT-POS-f7918075-4
0.450
MIC-UNK-8971c93c-1
0.450
MAT-POS-bb423b95-1
0.449
MAT-POS-bb423b95-9
0.449
MAK-UNK-6ca90168-23
0.447
EDJ-MED-976da9a6-1
0.446
MAT-POS-f7918075-6
0.443
EDJ-MED-50fe53e8-2
0.443
EDJ-MED-a364e151-3
0.443
JAN-GHE-5a013bed-6
0.443
SAM-UNK-2684b532-12
0.442
MAT-POS-bb423b95-8
0.438
MAT-POS-f7918075-5
0.438
EDJ-MED-c8e7a002-9
0.438
MAT-POS-199e2e7c-1
0.438
ALP-POS-95b75b4d-7
0.436
MAT-POS-bb423b95-6
0.436
EDG-MED-0da5ad92-12
0.432
MAT-POS-f7918075-3
0.432
MIC-UNK-08cd9c58-1
0.432
MAT-POS-f7918075-8
0.432
EDJ-MED-a364e151-1
0.432
EDJ-MED-a364e151-2
0.432
JAN-GHE-5a013bed-8
0.431
EDG-MED-0da5ad92-2
0.431
MIC-UNK-50cce87d-2
0.430
ALP-POS-95b75b4d-5
0.430
MAT-POS-bb423b95-4
0.430
MAT-POS-f7918075-7
0.427
ALP-POS-0c2c77e1-1
0.425
MAT-POS-bb423b95-3
0.425
EDG-MED-0da5ad92-18
0.421
MIC-UNK-50cce87d-1
0.420
MIC-UNK-50cce87d-3
0.420
MAT-POS-bb423b95-2
0.420
PET-UNK-8df914d1-4
0.419
EDG-MED-0da5ad92-13
0.419
EDJ-MED-49816e9b-2
0.419
NAU-LAT-e1818702-10
0.417
PET-UNK-8df914d1-1
0.417
JAN-GHE-5a013bed-7
0.417
EDJ-MED-00c1612e-1
0.417
EDJ-MED-c8e7a002-15
0.415
EDJ-MED-49816e9b-3
0.413
EDJ-MED-49816e9b-5
0.413
MAT-POS-4211dce8-1
0.412
EDJ-MED-976da9a6-2
0.412
MAT-POS-14ad9fe9-1
0.412
MIC-UNK-50cce87d-4
0.410
EDJ-MED-c8e7a002-14
0.407
EDJ-MED-c8e7a002-13
0.407
PET-UNK-8df914d1-5
0.405
EDJ-MED-c8e7a002-10
0.402
JAN-GHE-5a013bed-4
0.400
JAG-UCB-a3ef7265-15
0.400
NAU-LAT-e1818702-7
0.400
JAG-UCB-a3ef7265-17
0.400
EDJ-MED-c8e7a002-2
0.398
PET-UNK-8df914d1-2
0.395
EDJ-MED-50fe53e8-3
0.395
MAT-POS-3cc264b0-1
0.390
EDJ-MED-50fe53e8-1
0.390
EDJ-MED-50fe53e8-4
0.390
EDG-MED-0da5ad92-15
0.390
EDJ-MED-c8e7a002-6
0.388
EDJ-MED-c8e7a002-3
0.388
EDJ-MED-c8e7a002-8
0.386
ALP-POS-3b848b35-3
0.383
JAN-GHE-5a013bed-5
0.380
NAU-LAT-e1818702-1
0.375