Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1C(=O)NCc2ccccc21 |
| MW: | 314.08 |
| Fraction sp3: | 0.18 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 2.37 |
| 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
ALP-POS-90e38439-1
0.560
NAU-LAT-a5c7d7cb-13
0.560
VLA-UCB-1dbca3b4-1
0.560
RUB-POS-1325a9ea-23
0.560
RUB-POS-1325a9ea-6
0.526
MAT-POS-500ca5bf-2
0.486
MIC-UNK-42806bd5-1
0.486
ALP-POS-90e38439-2
0.486
RUB-POS-1325a9ea-21
0.463
RUB-POS-1325a9ea-20
0.463
PET-UNK-f92d7c0c-2
0.463
PET-UNK-f92d7c0c-8
0.463
MIC-UNK-42806bd5-2
0.459
ALP-POS-90e38439-3
0.459
ALP-POS-8b8a49e1-5
0.459
MIC-UNK-4c7b8ba7-1
0.455
MAT-POS-0bc33984-1
0.449
MIC-UNK-fc94cdb5-1
0.440
ALP-POS-8b8a49e1-6
0.438
RUB-POS-1325a9ea-16
0.438
ALP-POS-8b8a49e1-8
0.436
ROB-UNI-daaf9793-2
0.434
NAU-LAT-a5c7d7cb-14
0.434
RUB-POS-1325a9ea-24
0.432
ROB-UNI-daaf9793-4
0.427
MIC-UNK-8373f97b-5
0.415
ALP-POS-8b8a49e1-7
0.413
MIC-UNK-8373f97b-4
0.410
PET-UNK-f92d7c0c-5
0.390
PET-UNK-f92d7c0c-4
0.390
ROB-UNI-daaf9793-3
0.388
MAT-POS-7174c657-3
0.384
NAM-UNK-f7c77a48-3
0.382
PET-UNK-f92d7c0c-9
0.378
MIC-UNK-13557a72-1
0.375
PET-UNK-f92d7c0c-1
0.375
PET-UNK-f92d7c0c-6
0.375
JAN-GHE-f4ca5a00-12
0.373
NAU-LAT-e1818702-1
0.373
MAT-POS-0bc33984-2
0.370
JAN-GHE-f4ca5a00-16
0.369
JAN-GHE-f4ca5a00-17
0.365
JAN-GHE-5a013bed-4
0.362
ROB-CAM-6936528f-1
0.360
JAN-GHE-5a013bed-5
0.360
EDJ-MED-c292668a-1
0.357
EDG-MED-0da5ad92-2
0.354
JAN-GHE-5a013bed-11
0.354
EDG-MED-0da5ad92-15
0.354
MAT-POS-bb423b95-6
0.349
JOH-UNI-6fede743-3
0.349
JIN-POS-6dc588a4-19
0.349
PET-UNK-158bee2a-2
0.346
JAN-GHE-5a013bed-9
0.346
JAN-GHE-5a013bed-6
0.346
EDJ-MED-49816e9b-2
0.346
SAM-UNK-2684b532-13
0.346
ALP-POS-95b75b4d-8
0.346
RUB-POS-1325a9ea-22
0.345
ALP-POS-95b75b4d-5
0.345
MAT-POS-bb423b95-4
0.345
VLA-UNK-dc1d9354-1
0.345
MAT-POS-4211dce8-1
0.345
MAT-POS-f7918075-7
0.344
RUB-POS-1325a9ea-1
0.344
JAN-GHE-5a013bed-7
0.342
NAU-LAT-e1818702-10
0.342
EDG-MED-0da5ad92-14
0.341
MAK-UNK-6ca90168-23
0.341
NAU-LAT-e1818702-9
0.341
MAT-POS-3cc264b0-1
0.341
EDJ-MED-50fe53e8-1
0.341
MIC-UNK-66895286-1
0.338
PET-UNK-158bee2a-4
0.338
JAN-GHE-5a013bed-8
0.338
PET-UNK-8df914d1-5
0.337
MIC-UNK-d935700b-2
0.337
JAN-GHE-5a013bed-3
0.337
MAT-POS-7174c657-2
0.337
MAT-POS-14ad9fe9-1
0.333
ABI-SAT-4d06482b-2
0.333
EDJ-MED-a364e151-1
0.333
JAN-GHE-5a013bed-1
0.333
JIN-POS-6dc588a4-20
0.333
JAN-GHE-5a013bed-10
0.333
JOH-UNI-ee5ed7c8-8
0.330
JOH-UNI-3fc3434e-8
0.330
VLA-UCB-1dbca3b4-2
0.330
AGN-NEW-c7b24fe3-4
0.329
PET-UNK-158bee2a-3
0.329
EDG-MED-0da5ad92-16
0.329
EDG-MED-0da5ad92-21
0.329
JAG-UCB-a3ef7265-17
0.329
NAM-UNK-f7c77a48-4
0.329
VLA-UNK-411a133b-1
0.329
EDG-MED-0da5ad92-13
0.329
NAU-LAT-e1818702-7
0.329
MAT-POS-bb423b95-3
0.326
ROB-UNI-daaf9793-1
0.326
ALP-POS-0c2c77e1-1
0.326