Molecule Details
| Molecular Properties | |
| SMILES: | CC1(C)Nc2ccccc2C1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 314.12 |
| Fraction sp3: | 0.28 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.13 |
| cLogP: | 3.94 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-24 |
ADA-UCB-6c2cb422-1
RUB-POS-1325a9ea-23
0.527
NAU-LAT-a5c7d7cb-13
0.527
ALP-POS-90e38439-1
0.527
VLA-UCB-1dbca3b4-1
0.527
NAU-LAT-a5c7d7cb-14
0.513
ROB-UNI-daaf9793-2
0.513
MIC-UNK-fc94cdb5-1
0.465
ALP-POS-8b8a49e1-6
0.442
RUB-POS-1325a9ea-16
0.442
RUB-POS-1325a9ea-6
0.438
RUB-POS-1325a9ea-7
0.432
MIC-UNK-42806bd5-1
0.431
ALP-POS-90e38439-2
0.431
MAT-POS-500ca5bf-2
0.431
PET-UNK-f92d7c0c-8
0.430
RUB-POS-1325a9ea-20
0.430
PET-UNK-f92d7c0c-2
0.430
MIC-UNK-42806bd5-2
0.425
ALP-POS-90e38439-3
0.425
ALP-POS-8b8a49e1-5
0.425
MIC-UNK-4c7b8ba7-1
0.421
ALP-POS-8b8a49e1-7
0.417
MAT-POS-0bc33984-1
0.416
RUB-POS-1325a9ea-21
0.415
PET-UNK-f92d7c0c-4
0.411
PET-UNK-f92d7c0c-5
0.411
MAT-POS-0bc33984-2
0.408
ALP-POS-8b8a49e1-8
0.403
MIC-UNK-8373f97b-4
0.395
PET-UNK-f92d7c0c-1
0.395
PET-UNK-f92d7c0c-6
0.395
MIC-UNK-13557a72-1
0.395
MIC-UNK-8373f97b-5
0.383
VLA-UNK-411a133b-1
0.382
EDG-MED-0da5ad92-21
0.382
ROB-UNI-daaf9793-4
0.378
MAT-POS-4211dce8-1
0.378
MIC-UNK-8373f97b-2
0.376
MIC-UNK-b12b7f76-2
0.370
MAT-POS-7174c657-3
0.369
JAN-GHE-f4ca5a00-17
0.366
MAT-POS-bfb445d4-2
0.366
JAN-GHE-5a013bed-6
0.365
PET-UNK-158bee2a-2
0.365
JAN-GHE-5a013bed-9
0.365
JIN-POS-6dc588a4-23
0.365
PET-UNK-f92d7c0c-9
0.364
EDG-MED-0da5ad92-13
0.364
MAT-POS-bb423b95-4
0.361
ALP-POS-95b75b4d-5
0.361
JAN-GHE-5a013bed-5
0.361
MAT-POS-f7918075-7
0.360
RUB-POS-1325a9ea-1
0.360
ALP-POS-95b75b4d-6
0.359
EDG-MED-0da5ad92-14
0.359
VLA-UNK-4cf5aa07-2
0.358
JAN-GHE-5a013bed-11
0.355
MIC-UNK-66895286-1
0.355
EDG-MED-0da5ad92-15
0.354
MIC-UNK-d935700b-1
0.354
JIN-POS-6dc588a4-5
0.354
MIC-UNK-d935700b-2
0.353
VLA-UNK-411a133b-2
0.351
JAN-GHE-5a013bed-1
0.351
ABI-SAT-4d06482b-2
0.350
ALP-POS-3b848b35-3
0.349
JIN-POS-6dc588a4-8
0.349
JOH-UNI-6fede743-3
0.349
JAN-GHE-f4ca5a00-14
0.349
MAT-POS-bb423b95-6
0.349
JIN-POS-6dc588a4-19
0.349
NAM-UNK-f7c77a48-3
0.347
SAM-UNK-2684b532-13
0.346
ALP-POS-95b75b4d-8
0.346
PET-UNK-158bee2a-3
0.346
PET-UNK-8df914d1-4
0.346
EDJ-MED-49816e9b-2
0.346
JAG-UCB-a3ef7265-15
0.346
NAU-LAT-e1818702-7
0.346
JAG-UCB-a3ef7265-17
0.346
JAN-GHE-5a013bed-4
0.346
EDG-MED-0da5ad92-16
0.346
PET-UNK-158bee2a-1
0.346
VLA-UNK-4cf5aa07-1
0.346
TRY-UNI-714a760b-3
0.346
JIN-POS-6dc588a4-7
0.345
JIN-POS-6dc588a4-9
0.345
RUB-POS-1325a9ea-17
0.345
VLA-UNK-dc1d9354-1
0.345
TRY-UNI-9f475305-7
0.344
NAU-LAT-e1818702-10
0.342
JAN-GHE-5a013bed-7
0.342
EDJ-MED-49816e9b-5
0.342
EDJ-MED-49816e9b-3
0.342
EDG-MED-0da5ad92-12
0.342
NAU-LAT-e1818702-1
0.341
JAN-GHE-f4ca5a00-12
0.341
NAU-LAT-a5c7d7cb-11
0.341
ROB-UNI-daaf9793-3
0.341
MAT-POS-f7918075-6
0.341