Molecule Details
| Molecular Properties | |
| SMILES: | CC1(NC(=O)Cc2cccc(Cl)c2)CCNC1=O |
| MW: | 266.08 |
| Fraction sp3: | 0.38 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 1.28 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-559-146 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Ordered: | 2020-07-28 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-01 |
ALP-POS-90e38439-2
0.463
MIC-UNK-42806bd5-1
0.463
MAT-POS-500ca5bf-2
0.463
MAT-POS-0bc33984-1
0.444
MIC-UNK-42806bd5-2
0.435
ALP-POS-8b8a49e1-5
0.435
MIC-UNK-fc94cdb5-1
0.435
ALP-POS-90e38439-3
0.435
MIC-UNK-4c7b8ba7-1
0.431
ALP-POS-8b8a49e1-8
0.431
MIC-UNK-8373f97b-2
0.418
MIC-UNK-b12b7f76-2
0.413
RUB-POS-1325a9ea-24
0.408
ALP-POS-8b8a49e1-7
0.406
JAN-GHE-5a013bed-11
0.400
EDG-MED-0da5ad92-15
0.397
PET-UNK-158bee2a-2
0.391
JAN-GHE-5a013bed-9
0.391
MIC-UNK-8373f97b-5
0.390
PET-UNK-158bee2a-3
0.389
EDJ-MED-49816e9b-2
0.389
JAN-GHE-5a013bed-4
0.389
EDG-MED-0da5ad92-21
0.389
VLA-UNK-411a133b-1
0.389
JAN-GHE-5a013bed-5
0.388
ANN-UNI-98d2bf15-3
0.387
JOH-UNI-abfda500-4
0.387
JOH-UNI-abfda500-5
0.387
VLA-UCB-1dbca3b4-1
0.385
ALP-POS-90e38439-1
0.385
MAT-POS-4211dce8-1
0.385
RUB-POS-1325a9ea-23
0.385
MIC-UNK-8373f97b-4
0.385
NAU-LAT-a5c7d7cb-13
0.385
EDJ-MED-49816e9b-3
0.384
EDJ-MED-49816e9b-5
0.384
EDG-MED-0da5ad92-14
0.384
JAN-GHE-5a013bed-8
0.380
PET-UNK-f92d7c0c-5
0.380
EDG-MED-0da5ad92-2
0.380
MIC-UNK-66895286-1
0.380
PET-UNK-f92d7c0c-4
0.380
TRY-UNI-714a760b-6
0.378
RUB-POS-1325a9ea-19
0.377
MIC-UNK-d935700b-1
0.377
JAN-GHE-5a013bed-1
0.375
VLA-UNK-411a133b-2
0.375
ROB-UNI-daaf9793-2
0.375
NAU-LAT-a5c7d7cb-14
0.375
EDG-MED-0da5ad92-18
0.373
JAN-GHE-f4ca5a00-17
0.372
JOH-UNI-6fede743-3
0.372
MAT-POS-bb423b95-6
0.372
JIN-POS-6dc588a4-19
0.372
JAN-GHE-5a013bed-6
0.371
RUB-POS-1325a9ea-7
0.370
ALP-POS-95b75b4d-8
0.370
SAM-UNK-2684b532-13
0.370
JAG-UCB-a3ef7265-15
0.370
JAG-UCB-a3ef7265-17
0.370
EDG-MED-0da5ad92-13
0.370
NAU-LAT-e1818702-7
0.370
EDG-MED-0da5ad92-16
0.370
PET-UNK-8df914d1-4
0.370
MAT-POS-14ad9fe9-1
0.369
VLA-UNK-dc1d9354-1
0.367
JIN-POS-6dc588a4-2
0.367
NAU-LAT-e1818702-10
0.366
JAN-GHE-5a013bed-7
0.366
MAT-POS-f7918075-7
0.366
RUB-POS-1325a9ea-1
0.366
EDG-MED-0da5ad92-12
0.365
PET-UNK-f92d7c0c-1
0.365
MIC-UNK-13557a72-1
0.365
PET-UNK-f92d7c0c-6
0.365
ALP-POS-95b75b4d-6
0.365
BAR-COM-ebf5acce-9
0.365
ROB-UNI-daaf9793-3
0.362
EDJ-MED-c8e7a002-13
0.362
EDJ-MED-c8e7a002-14
0.362
JIN-POS-6dc588a4-6
0.362
EDJ-MED-c8e7a002-6
0.361
EDJ-MED-c8e7a002-3
0.361
PET-UNK-158bee2a-4
0.361
PET-UNK-8df914d1-3
0.360
PET-UNK-f92d7c0c-3
0.360
JIN-POS-6dc588a4-3
0.359
JAN-GHE-f4ca5a00-16
0.359
MAT-POS-bb423b95-5
0.359
ALP-POS-8b8a49e1-6
0.359
RUB-POS-1325a9ea-16
0.359
EDJ-MED-c8e7a002-16
0.358
JIN-POS-6dc588a4-16
0.358
MAT-POS-199e2e7c-1
0.358
MAT-POS-199e2e7c-2
0.358
PET-UNK-bbe8d7ff-1
0.358
MIC-UNK-d935700b-2
0.358
BAR-COM-ebf5acce-1
0.357
JAN-GHE-5a013bed-10
0.356
ABI-SAT-4d06482b-2
0.355