Molecule Details
| Molecular Properties | |
| SMILES: | N#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 271.707 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.78 |
| cLogP: | 2.78788 |
| Covalent Warhead: | ✔️ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-479-850 |
| Activity Data | |
| Average Inhibition @ 20 µM - Fluorescence: | -10.23229 |
| Average Inhibition @ 50 µM - Fluorescence: | -15.72103 |
| Relative Solubility @ 20 µM: | 0.99 |
| Relative Solubility @ 100 µM: | 1.0 |
| Order Status | |
| Ordered: | 2020-03-31 |
| Synthesis Location: | enamine |
| Shipped: | 2020-05-13 |
AAR-POS-d2a4d1df-11
AGN-NEW-c7b24fe3-5
0.738
AGN-NEW-c7b24fe3-3
0.698
EDG-MED-0da5ad92-14
0.609
AGN-NEW-c7b24fe3-1
0.597
MAK-UNK-6ca90168-23
0.551
AGN-NEW-c7b24fe3-6
0.507
SAM-UNK-2684b532-13
0.500
ALP-POS-95b75b4d-8
0.500
MAT-POS-bb423b95-2
0.493
ALP-POS-95b75b4d-6
0.493
MIC-UNK-08cd9c58-1
0.487
MAT-POS-f7918075-3
0.487
TRY-UNI-714a760b-6
0.486
JAN-GHE-5a013bed-10
0.485
JOH-UNI-3fc3434e-8
0.481
JOH-UNI-ee5ed7c8-8
0.481
ABI-SAT-4d06482b-2
0.479
EDG-MED-0da5ad92-21
0.478
EDG-MED-0da5ad92-16
0.478
EDG-MED-0da5ad92-13
0.478
ALP-POS-95b75b4d-7
0.473
EDG-MED-0da5ad92-17
0.472
JOH-UNI-abfda500-4
0.472
JOH-UNI-abfda500-5
0.472
ANN-UNI-98d2bf15-3
0.472
JAN-GHE-5a013bed-8
0.471
EDG-MED-0da5ad92-2
0.471
PET-UNK-8df914d1-3
0.465
SAM-UNK-2684b532-12
0.459
MAT-POS-bb423b95-5
0.459
SAM-UNK-2684b532-11
0.459
EDJ-MED-49816e9b-2
0.457
NAU-LAT-e1818702-10
0.456
JAN-GHE-5a013bed-7
0.456
VLA-UCB-00f2c2b3-7
0.453
TRY-UNI-714a760b-3
0.452
JAN-GHE-5a013bed-11
0.449
MAT-POS-bb423b95-4
0.447
ALP-POS-95b75b4d-5
0.447
EDJ-MED-c8e7a002-12
0.447
MAT-POS-bb423b95-1
0.447
ALP-POS-0c2c77e1-1
0.442
MAT-POS-bb423b95-3
0.442
EDJ-MED-c8e7a002-14
0.442
JAN-GHE-5a013bed-6
0.441
JAN-GHE-5a013bed-9
0.441
MIC-UNK-d935700b-1
0.440
EDG-MED-0da5ad92-18
0.438
MAT-POS-f7918075-5
0.436
MIC-UNK-50cce87d-3
0.436
JOH-UNI-6fede743-1
0.436
MAT-POS-bb423b95-6
0.434
JOH-UNI-6fede743-3
0.434
ADA-UCB-6c2cb422-1
0.434
MAT-POS-f7918075-8
0.430
MIC-UNK-8971c93c-1
0.430
MAT-POS-f7918075-4
0.430
MIC-UNK-66895286-1
0.429
MIC-UNK-50cce87d-2
0.429
MAT-POS-bb423b95-9
0.429
MAT-POS-4211dce8-1
0.429
MAT-POS-14ad9fe9-1
0.427
EDG-MED-0da5ad92-15
0.425
EDJ-MED-50fe53e8-2
0.423
MAT-POS-f7918075-6
0.423
EDJ-MED-a364e151-3
0.423
MAT-POS-199e2e7c-1
0.418
MIC-UNK-d935700b-2
0.418
MAT-POS-bb423b95-8
0.418
MIC-UNK-50cce87d-1
0.418
NAU-LAT-e1818702-7
0.417
JAG-UCB-a3ef7265-15
0.417
JAG-UCB-a3ef7265-17
0.417
PET-UNK-8df914d1-4
0.417
JOH-UNI-3fc3434e-3
0.415
JOH-UNI-ee5ed7c8-3
0.415
EDJ-MED-a364e151-2
0.412
EDJ-MED-a364e151-1
0.412
EDJ-MED-49816e9b-3
0.411
EDJ-MED-49816e9b-5
0.411
EDG-MED-0da5ad92-12
0.411
EDJ-MED-50fe53e8-3
0.410
JAN-GHE-f4ca5a00-12
0.408
NAU-LAT-e1818702-1
0.408
MIC-UNK-50cce87d-4
0.407
MAT-POS-f7918075-7
0.407
MAK-UNK-a7b37c5e-3
0.406
MAT-POS-e1b5ac6b-1
0.405
JOH-UNI-3fc3434e-1
0.405
JOH-UNI-ee5ed7c8-1
0.405
JOH-UNI-3fc3434e-2
0.404
JOH-UNI-ee5ed7c8-2
0.404
AGN-NEW-c7b24fe3-2
0.403
EDJ-MED-c8e7a002-7
0.400
EDJ-MED-c8e7a002-8
0.400
MAT-POS-199e2e7c-2
0.400
EDJ-MED-c8e7a002-17
0.400
JOH-UNI-6fede743-5
0.398
EDJ-MED-00c1612e-1
0.398
PET-UNK-8df914d1-1
0.398