Molecule Details
| Molecular Properties | |
| SMILES: | CC1CCNC(=O)C1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 280.1 |
| Fraction sp3: | 0.43 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 1.52 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule: | MCULE-1510672974 |
| MolPort: | MolPort-047-548-740 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 43.7142909815475 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-07-28 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
MIC-UNK-42806bd5-1
0.613
ALP-POS-90e38439-2
0.613
MAT-POS-500ca5bf-2
0.613
ALP-POS-8b8a49e1-8
0.544
MIC-UNK-4c7b8ba7-1
0.544
MIC-UNK-8373f97b-4
0.528
MIC-UNK-8373f97b-5
0.493
ALP-POS-8b8a49e1-5
0.485
MIC-UNK-fc94cdb5-1
0.485
ALP-POS-90e38439-3
0.485
MIC-UNK-42806bd5-2
0.485
ALP-POS-8b8a49e1-7
0.478
PET-UNK-f92d7c0c-1
0.451
PET-UNK-f92d7c0c-6
0.451
PET-UNK-f92d7c0c-4
0.449
PET-UNK-f92d7c0c-5
0.449
RUB-POS-1325a9ea-7
0.449
MAT-POS-0bc33984-2
0.444
MIC-UNK-13557a72-1
0.431
VLA-UCB-1dbca3b4-1
0.429
RUB-POS-1325a9ea-23
0.429
ALP-POS-90e38439-1
0.429
NAU-LAT-a5c7d7cb-13
0.429
RUB-POS-1325a9ea-24
0.416
RUB-POS-1325a9ea-16
0.403
ALP-POS-8b8a49e1-6
0.403
NAU-LAT-a5c7d7cb-14
0.400
ROB-UNI-daaf9793-2
0.400
MIC-UNK-d935700b-2
0.400
MAT-POS-bb423b95-6
0.397
JOH-UNI-6fede743-3
0.397
JIN-POS-6dc588a4-19
0.397
ROB-UNI-daaf9793-4
0.392
EDG-MED-0da5ad92-14
0.392
EDG-MED-0da5ad92-2
0.389
JAN-GHE-5a013bed-11
0.389
EDG-MED-0da5ad92-15
0.387
JAN-GHE-f4ca5a00-16
0.385
RUB-POS-1325a9ea-6
0.383
ABI-SAT-4d06482b-2
0.382
PET-UNK-158bee2a-2
0.380
JAN-GHE-5a013bed-9
0.380
JAN-GHE-5a013bed-6
0.380
JAN-GHE-5a013bed-4
0.378
EDG-MED-0da5ad92-21
0.378
EDJ-MED-49816e9b-2
0.378
PET-UNK-158bee2a-3
0.378
VLA-UNK-411a133b-1
0.378
JAN-GHE-5a013bed-5
0.377
ALP-POS-95b75b4d-5
0.375
PET-UNK-f92d7c0c-8
0.375
RUB-POS-1325a9ea-20
0.375
PET-UNK-f92d7c0c-2
0.375
MAT-POS-bb423b95-4
0.375
NAU-LAT-e1818702-1
0.372
JAN-GHE-f4ca5a00-12
0.372
JAN-GHE-5a013bed-8
0.370
MIC-UNK-66895286-1
0.370
PET-UNK-f92d7c0c-3
0.368
PET-UNK-8df914d1-3
0.368
TRY-UNI-714a760b-6
0.368
PET-UNK-8df914d1-5
0.367
MIC-UNK-d935700b-1
0.367
JAN-GHE-5a013bed-1
0.365
VLA-UNK-411a133b-2
0.365
EDG-MED-0da5ad92-18
0.364
JAN-GHE-f4ca5a00-14
0.362
JAN-GHE-f4ca5a00-17
0.362
RUB-POS-1325a9ea-21
0.361
JIN-POS-6dc588a4-20
0.360
MAT-POS-14ad9fe9-1
0.360
EDG-MED-0da5ad92-16
0.360
ALP-POS-95b75b4d-8
0.360
SAM-UNK-2684b532-13
0.360
PET-UNK-8df914d1-4
0.360
NAU-LAT-e1818702-7
0.360
JAG-UCB-a3ef7265-17
0.360
EDG-MED-0da5ad92-13
0.360
NAM-UNK-f7c77a48-4
0.360
JAG-UCB-a3ef7265-15
0.360
MAT-POS-4211dce8-1
0.358
MAT-POS-f7918075-7
0.357
RUB-POS-1325a9ea-1
0.357
JAN-GHE-5a013bed-7
0.356
NAU-LAT-e1818702-10
0.356
EDG-MED-0da5ad92-12
0.355
ALP-POS-95b75b4d-6
0.355
EDJ-MED-49816e9b-5
0.355
EDJ-MED-49816e9b-3
0.355
PET-UNK-f92d7c0c-7
0.354
VLA-UNK-4cf5aa07-2
0.354
JIN-POS-6dc588a4-6
0.354
PET-UNK-158bee2a-4
0.351
RUB-POS-1325a9ea-19
0.350
MAT-POS-bb423b95-5
0.350
JIN-POS-6dc588a4-3
0.350
MIC-UNK-b12b7f76-2
0.350
PET-UNK-bbe8d7ff-1
0.349
JAN-GHE-5a013bed-10
0.347
VLA-UCB-00f2c2b3-7
0.346