Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1CCCNC1=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-047-549-564 |
| 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
0.800
MAT-POS-500ca5bf-2
0.800
MIC-UNK-42806bd5-1
0.800
MIC-UNK-fc94cdb5-1
0.562
MAT-POS-0bc33984-1
0.544
ALP-POS-8b8a49e1-8
0.507
ALP-POS-90e38439-3
0.493
MIC-UNK-42806bd5-2
0.493
ALP-POS-8b8a49e1-5
0.493
ALP-POS-8b8a49e1-7
0.485
MIC-UNK-8373f97b-5
0.479
MIC-UNK-8373f97b-4
0.473
RUB-POS-1325a9ea-16
0.466
ALP-POS-8b8a49e1-6
0.466
RUB-POS-1325a9ea-6
0.461
NAU-LAT-a5c7d7cb-14
0.461
ROB-UNI-daaf9793-2
0.461
PET-UNK-f92d7c0c-1
0.457
PET-UNK-f92d7c0c-6
0.457
PET-UNK-f92d7c0c-4
0.456
PET-UNK-f92d7c0c-5
0.456
RUB-POS-1325a9ea-7
0.455
RUB-POS-1325a9ea-21
0.455
PET-UNK-f92d7c0c-8
0.453
PET-UNK-f92d7c0c-2
0.453
RUB-POS-1325a9ea-20
0.453
MIC-UNK-13557a72-1
0.437
ALP-POS-90e38439-1
0.434
RUB-POS-1325a9ea-23
0.434
VLA-UCB-1dbca3b4-1
0.434
NAU-LAT-a5c7d7cb-13
0.434
MAT-POS-0bc33984-2
0.431
MIC-UNK-d935700b-2
0.423
RUB-POS-1325a9ea-24
0.421
ALP-POS-95b75b4d-5
0.416
ROB-UNI-daaf9793-4
0.416
MAT-POS-bb423b95-4
0.416
JIN-POS-6dc588a4-20
0.398
MAT-POS-14ad9fe9-1
0.398
MIC-UNK-4c7b8ba7-2
0.398
ALP-POS-95b75b4d-6
0.397
EDG-MED-0da5ad92-14
0.397
JAN-GHE-5a013bed-8
0.394
JAN-GHE-5a013bed-11
0.394
PET-UNK-8df914d1-5
0.390
JAN-GHE-f4ca5a00-16
0.390
JAN-GHE-5a013bed-9
0.386
PET-UNK-158bee2a-2
0.386
JIN-POS-6dc588a4-19
0.385
JOH-UNI-6fede743-3
0.385
MAT-POS-bb423b95-6
0.385
JAN-GHE-f4ca5a00-14
0.385
JAN-GHE-f4ca5a00-17
0.385
SAM-UNK-2684b532-13
0.384
JAN-GHE-5a013bed-4
0.384
EDG-MED-0da5ad92-21
0.384
ALP-POS-95b75b4d-8
0.384
PET-UNK-8df914d1-4
0.384
JAN-GHE-5a013bed-5
0.382
NAU-LAT-e1818702-10
0.380
JAN-GHE-5a013bed-7
0.380
MAT-POS-4211dce8-1
0.380
NAU-LAT-e1818702-1
0.377
JAN-GHE-f4ca5a00-12
0.377
MIC-UNK-66895286-1
0.375
ROB-UNI-daaf9793-1
0.375
MAT-POS-e1b5ac6b-1
0.375
PET-UNK-158bee2a-4
0.375
EDG-MED-0da5ad92-2
0.375
ROB-UNI-daaf9793-3
0.375
TRY-UNI-714a760b-6
0.373
EDG-MED-0da5ad92-15
0.373
JIN-POS-6dc588a4-5
0.372
MIC-UNK-d935700b-1
0.372
EDJ-MED-6e43a462-5
0.370
EDJ-MED-6e43a462-6
0.370
JAN-GHE-5a013bed-1
0.370
JAN-GHE-5a013bed-10
0.370
ABI-SAT-4d06482b-2
0.368
ALP-POS-95b75b4d-7
0.367
VLA-UCB-00f2c2b3-7
0.367
NAM-UNK-f7c77a48-3
0.366
JAN-GHE-5a013bed-6
0.366
EDG-MED-0da5ad92-16
0.365
EDJ-MED-49816e9b-2
0.365
JAG-UCB-a3ef7265-17
0.365
NAU-LAT-e1818702-7
0.365
VLA-UNK-411a133b-1
0.365
NAM-UNK-f7c77a48-4
0.365
JOH-UNI-abfda500-4
0.364
TRY-UNI-714a760b-3
0.364
ANN-UNI-98d2bf15-3
0.364
AGN-NEW-c7b24fe3-4
0.364
AGN-NEW-c7b24fe3-5
0.364
JOH-UNI-abfda500-5
0.364
MAT-POS-bb423b95-1
0.362
VLA-UCB-1dbca3b4-2
0.362
RUB-POS-1325a9ea-1
0.361
MAT-POS-f7918075-7
0.361
EDJ-MED-49816e9b-5
0.360