Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1C(=O)Nc2ccccc21 |
| MW: | 300.07 |
| Fraction sp3: | 0.12 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 2.69 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-554-482 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-08-12 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
VLA-UCB-1dbca3b4-1
1.000
ALP-POS-90e38439-1
1.000
NAU-LAT-a5c7d7cb-13
1.000
NAU-LAT-a5c7d7cb-14
0.568
ROB-UNI-daaf9793-2
0.568
RUB-POS-1325a9ea-7
0.560
RUB-POS-1325a9ea-24
0.527
MIC-UNK-fc94cdb5-1
0.479
MAT-POS-500ca5bf-2
0.465
ALP-POS-90e38439-2
0.465
MIC-UNK-42806bd5-1
0.465
ALP-POS-8b8a49e1-6
0.455
RUB-POS-1325a9ea-16
0.455
ALP-POS-90e38439-3
0.438
ALP-POS-8b8a49e1-5
0.438
MIC-UNK-42806bd5-2
0.438
MIC-UNK-4c7b8ba7-1
0.434
RUB-POS-1325a9ea-6
0.432
ALP-POS-8b8a49e1-7
0.431
MAT-POS-0bc33984-1
0.429
PET-UNK-f92d7c0c-2
0.425
RUB-POS-1325a9ea-20
0.425
PET-UNK-f92d7c0c-8
0.425
ALP-POS-8b8a49e1-8
0.416
MIC-UNK-8373f97b-5
0.412
RUB-POS-1325a9ea-21
0.410
MIC-UNK-13557a72-1
0.408
MIC-UNK-8373f97b-4
0.407
PET-UNK-f92d7c0c-4
0.405
PET-UNK-f92d7c0c-5
0.405
ROB-UNI-daaf9793-4
0.390
PET-UNK-f92d7c0c-6
0.390
PET-UNK-f92d7c0c-1
0.390
MIC-UNK-8373f97b-2
0.388
MAT-POS-0bc33984-2
0.385
JIN-POS-6dc588a4-19
0.378
MAT-POS-bb423b95-6
0.378
JOH-UNI-6fede743-3
0.378
JAN-GHE-5a013bed-4
0.377
JAN-GHE-5a013bed-5
0.375
MAT-POS-4211dce8-1
0.373
MAT-POS-f7918075-7
0.372
RUB-POS-1325a9ea-1
0.372
MIC-UNK-b12b7f76-2
0.366
MAT-POS-7174c657-3
0.365
JAN-GHE-f4ca5a00-17
0.361
NAM-UNK-f7c77a48-3
0.360
PET-UNK-158bee2a-2
0.360
JAN-GHE-5a013bed-9
0.360
RUB-POS-1325a9ea-17
0.357
ALP-POS-95b75b4d-6
0.354
JAN-GHE-f4ca5a00-12
0.354
NAU-LAT-e1818702-1
0.354
VLA-UNK-4cf5aa07-2
0.354
JOH-UNI-6fede743-4
0.353
ROB-UNI-daaf9793-1
0.353
MAT-POS-e1b5ac6b-1
0.353
JAN-GHE-5a013bed-11
0.351
MIC-UNK-66895286-1
0.351
JIN-POS-6dc588a4-5
0.349
PET-UNK-8df914d1-5
0.349
JIN-POS-6dc588a4-24
0.349
MIC-UNK-d935700b-2
0.349
JAN-GHE-5a013bed-10
0.346
VLA-UNK-411a133b-2
0.346
JAN-GHE-f4ca5a00-14
0.345
ADA-UCB-6c2cb422-1
0.345
VLA-UCB-00f2c2b3-7
0.345
EDJ-MED-c8e7a002-11
0.345
NAU-LAT-a5c7d7cb-10
0.345
PET-UNK-f92d7c0c-9
0.344
JAN-GHE-5a013bed-6
0.342
VLA-UNK-411a133b-1
0.342
NAM-UNK-f7c77a48-4
0.342
EDG-MED-0da5ad92-13
0.342
EDG-MED-0da5ad92-21
0.342
PET-UNK-8df914d1-4
0.342
JAG-UCB-a3ef7265-15
0.342
PET-UNK-158bee2a-1
0.341
VLA-UNK-4cf5aa07-1
0.341
RUB-POS-1325a9ea-22
0.341
MAT-POS-bb423b95-4
0.341
JIN-POS-6dc588a4-9
0.341
ALP-POS-95b75b4d-5
0.341
VLA-UNK-dc1d9354-1
0.341
JAN-GHE-5a013bed-7
0.338
NAU-LAT-e1818702-10
0.338
EDG-MED-0da5ad92-14
0.338
EDJ-MED-49816e9b-3
0.338
EDJ-MED-c292668a-1
0.337
EDJ-MED-50fe53e8-4
0.337
EDJ-MED-a364e151-3
0.337
EDJ-MED-50fe53e8-1
0.337
ROB-UNI-daaf9793-3
0.337
MAT-POS-3cc264b0-1
0.337
BEN-DND-02317c5c-9
0.337
VLA-UCB-1dbca3b4-7
0.337
MAT-POS-450cb4f9-1
0.337
VLA-UNK-eaa804fd-1
0.337
JOH-UNI-6fede743-1
0.333