Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 275.08 |
| Fraction sp3: | 0.14 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 68.01 |
| cLogP: | 2.81 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-567-655 |
| Activity Data | |
| Average Inhibition @ 20 µM - Fluorescence: | 6.437589 |
| Average Inhibition @ 50 µM - Fluorescence: | 20.0662 |
| Relative Solubility @ 20 µM: | 1.0 |
| Relative Solubility @ 100 µM: | 0.99 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-16 |
aniline
AAR-POS-d2a4d1df-11
EDJ-MED-49816e9b-2
0.741
TRY-UNI-714a760b-6
0.537
EDG-MED-0da5ad92-17
0.522
EDG-MED-0da5ad92-15
0.515
EDG-MED-0da5ad92-13
0.507
EDG-MED-0da5ad92-14
0.500
EDJ-MED-c8e7a002-4
0.487
EDG-MED-0da5ad92-16
0.485
EDG-MED-0da5ad92-21
0.485
EDJ-MED-c8e7a002-8
0.480
TRY-UNI-714a760b-3
0.479
EDJ-MED-49816e9b-3
0.478
EDJ-MED-49816e9b-5
0.478
JAN-GHE-5a013bed-8
0.478
PET-UNK-8df914d1-3
0.471
JAN-GHE-5a013bed-9
0.470
JAN-GHE-5a013bed-6
0.470
ABI-SAT-4d06482b-2
0.465
ALP-POS-95b75b4d-8
0.464
SAM-UNK-2684b532-13
0.464
JAG-UCB-a3ef7265-15
0.464
JAN-GHE-5a013bed-7
0.463
NAU-LAT-e1818702-10
0.463
EDJ-MED-97c1bf5c-2
0.463
JOH-UNI-abfda500-5
0.458
ANN-UNI-98d2bf15-3
0.458
ALP-POS-95b75b4d-6
0.457
EDG-MED-0da5ad92-12
0.457
JAN-GHE-5a013bed-11
0.456
EDG-MED-0da5ad92-2
0.456
JOH-UNI-6fede743-2
0.455
AGN-NEW-c7b24fe3-1
0.452
JOH-UNI-6fede743-4
0.447
MAT-POS-bb423b95-5
0.446
MIC-UNK-d935700b-1
0.446
SAM-UNK-2684b532-11
0.446
PET-UNK-8df914d1-4
0.443
NAU-LAT-e1818702-7
0.443
JAG-UCB-a3ef7265-17
0.443
EDJ-MED-c8e7a002-7
0.442
EDJ-MED-c8e7a002-17
0.442
MAT-POS-199e2e7c-2
0.442
ALP-POS-95b75b4d-7
0.440
AGN-NEW-c7b24fe3-4
0.438
AGN-NEW-c7b24fe3-5
0.438
JOH-UNI-abfda500-4
0.438
MIC-UNK-66895286-1
0.435
MAK-UNK-6ca90168-23
0.432
EDG-MED-0da5ad92-6
0.431
JOH-UNI-ee5ed7c8-8
0.430
JOH-UNI-3fc3434e-8
0.430
JAN-GHE-5a013bed-10
0.429
JAN-GHE-5a013bed-1
0.429
SAM-UNK-2684b532-12
0.427
MIC-UNK-50cce87d-3
0.423
EDJ-MED-97c1bf5c-1
0.422
EDJ-MED-7bb79bc5-1
0.422
JOH-UNI-6fede743-3
0.421
VLA-UCB-00f2c2b3-7
0.421
MAT-POS-bb423b95-6
0.421
JOH-UNI-6fede743-5
0.420
JAN-GHE-83b26c96-15
0.419
EDG-MED-0da5ad92-1
0.419
EDJ-MED-c8e7a002-15
0.418
ALP-POS-95b75b4d-5
0.416
MAT-POS-bb423b95-1
0.416
MAT-POS-4211dce8-1
0.416
MAT-POS-bb423b95-9
0.416
MAT-POS-bb423b95-4
0.416
MAT-POS-14ad9fe9-1
0.415
EDJ-MED-c8e7a002-14
0.410
ALP-POS-0c2c77e1-1
0.410
MAT-POS-bb423b95-3
0.410
JOH-UNI-3fc3434e-11
0.410
JOH-UNI-ee5ed7c8-11
0.410
ALP-POS-f13221e1-4
0.408
MAT-POS-bb423b95-2
0.405
MAT-POS-bb423b95-8
0.405
MAT-POS-199e2e7c-1
0.405
JOH-UNI-6fede743-1
0.405
JAN-GHE-5a013bed-5
0.403
EDJ-MED-c8e7a002-11
0.403
NAU-LAT-a5c7d7cb-10
0.403
ALP-POS-3b848b35-3
0.403
ADA-UCB-6c2cb422-1
0.403
MIC-UNK-08cd9c58-1
0.400
DAR-DIA-076fb6ea-16
0.400
EDJ-MED-c8e7a002-2
0.400
MAT-POS-f7918075-3
0.400
EDJ-MED-c8e7a002-12
0.397
PET-UNK-8df914d1-2
0.397
EDJ-MED-50fe53e8-3
0.397
JAN-GHE-f4ca5a00-12
0.395
NAU-LAT-e1818702-1
0.395
EDJ-MED-c8e7a002-5
0.393
EDJ-MED-50fe53e8-4
0.392
NAU-LAT-a5c7d7cb-11
0.392
EDJ-MED-c8e7a002-6
0.390
PET-UNK-8df914d1-5
0.390
EDJ-MED-c8e7a002-16
0.388