Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)N[C@H]1CCNC1=O |
| MW: | 252.07 |
| Fraction sp3: | 0.33 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 0.89 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-557-216 |
| Activity Data | |
| IC50 (µM) - RapidFire: | 99.0 |
| Order Status | |
| Shipped: | 2020-09-22 |
ALP-POS-90e38439-2
1.000
MAT-POS-500ca5bf-2
1.000
MIC-UNK-4c7b8ba7-1
0.800
MAT-POS-0bc33984-1
0.613
MIC-UNK-fc94cdb5-1
0.610
ALP-POS-8b8a49e1-8
0.571
MIC-UNK-42806bd5-2
0.532
ALP-POS-90e38439-3
0.532
ALP-POS-8b8a49e1-5
0.532
ALP-POS-8b8a49e1-7
0.525
RUB-POS-1325a9ea-16
0.500
ALP-POS-8b8a49e1-6
0.500
RUB-POS-1325a9ea-6
0.493
ROB-UNI-daaf9793-2
0.493
NAU-LAT-a5c7d7cb-14
0.493
MIC-UNK-8373f97b-5
0.493
PET-UNK-f92d7c0c-4
0.492
PET-UNK-f92d7c0c-5
0.492
RUB-POS-1325a9ea-7
0.486
RUB-POS-1325a9ea-20
0.486
PET-UNK-f92d7c0c-2
0.486
MIC-UNK-8373f97b-4
0.486
PET-UNK-f92d7c0c-8
0.486
PET-UNK-f92d7c0c-6
0.470
MIC-UNK-13557a72-1
0.470
PET-UNK-f92d7c0c-1
0.470
RUB-POS-1325a9ea-21
0.466
RUB-POS-1325a9ea-23
0.465
NAU-LAT-a5c7d7cb-13
0.465
ALP-POS-90e38439-1
0.465
VLA-UCB-1dbca3b4-1
0.465
MAT-POS-0bc33984-2
0.463
MIC-UNK-d935700b-2
0.452
ROB-UNI-daaf9793-4
0.444
RUB-POS-1325a9ea-24
0.431
MAT-POS-bb423b95-4
0.425
ALP-POS-95b75b4d-5
0.425
JAN-GHE-5a013bed-11
0.424
EDG-MED-0da5ad92-2
0.424
PET-UNK-8df914d1-5
0.417
JAN-GHE-f4ca5a00-16
0.417
PET-UNK-158bee2a-2
0.415
JAN-GHE-5a013bed-9
0.415
JAN-GHE-5a013bed-5
0.413
PET-UNK-8df914d1-4
0.412
JAN-GHE-5a013bed-4
0.412
JAN-GHE-f4ca5a00-14
0.411
JAN-GHE-f4ca5a00-17
0.411
NAU-LAT-e1818702-10
0.409
JAN-GHE-5a013bed-7
0.409
EDG-MED-0da5ad92-14
0.406
PET-UNK-158bee2a-4
0.403
MIC-UNK-66895286-1
0.403
JAN-GHE-5a013bed-8
0.403
NAU-LAT-e1818702-1
0.403
JAN-GHE-f4ca5a00-12
0.403
EDG-MED-0da5ad92-15
0.400
EDJ-MED-c8e7a002-16
0.395
NAM-UNK-f7c77a48-3
0.394
JAN-GHE-5a013bed-6
0.394
JOH-UNI-6fede743-3
0.392
MAT-POS-bb423b95-6
0.392
JIN-POS-6dc588a4-19
0.392
NAM-UNK-f7c77a48-4
0.391
EDJ-MED-49816e9b-2
0.391
VLA-UNK-411a133b-1
0.391
NAU-LAT-e1818702-7
0.391
JAG-UCB-a3ef7265-17
0.391
EDG-MED-0da5ad92-21
0.391
SAM-UNK-2684b532-13
0.391
ALP-POS-95b75b4d-8
0.391
MAT-POS-4211dce8-1
0.387
ALP-POS-95b75b4d-6
0.386
EDJ-MED-49816e9b-5
0.386
ROB-UNI-daaf9793-3
0.382
PET-UNK-f92d7c0c-3
0.380
TRY-UNI-714a760b-6
0.380
MIC-UNK-b12b7f76-2
0.378
MIC-UNK-d935700b-1
0.378
JAN-GHE-5a013bed-10
0.377
VLA-UNK-411a133b-2
0.377
JAN-GHE-5a013bed-1
0.377
EDJ-MED-6e43a462-6
0.377
EDJ-MED-6e43a462-5
0.377
EDJ-MED-c8e7a002-9
0.377
EDG-MED-0da5ad92-18
0.375
ABI-SAT-4d06482b-2
0.375
NAU-LAT-a5c7d7cb-10
0.373
VLA-UCB-00f2c2b3-7
0.373
EDJ-MED-c8e7a002-11
0.373
EDJ-MED-c8e7a002-15
0.372
PET-UNK-158bee2a-3
0.371
EDG-MED-0da5ad92-13
0.371
JAG-UCB-a3ef7265-15
0.371
EDG-MED-0da5ad92-16
0.371
MAT-POS-14ad9fe9-1
0.370
JIN-POS-6dc588a4-20
0.370
JOH-UNI-abfda500-5
0.370
ANN-UNI-98d2bf15-3
0.370
TRY-UNI-714a760b-3
0.370