Molecule Details
| Molecular Properties | |
| SMILES: | O=C1Cc2ccccc2N(C(=O)Cc2cccc(Cl)c2)C1 |
| MW: | 299.07 |
| Fraction sp3: | 0.18 |
| HBA: | 2 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 37.38 |
| cLogP: | 3.04 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-05-29 |
| Synthesis Location: | enamine |
| Shipped: | 2021-06-23 |
Ketones
Ketone
MAT-POS-7174c657-2
0.547
NAM-UNK-f7c77a48-3
0.500
EDJ-MED-c292668a-1
0.461
SAM-UNK-2684b532-14
0.438
MAT-POS-7174c657-3
0.415
SAD-SAT-b55127ae-1
0.400
ROB-UNI-daaf9793-3
0.386
NAM-UNK-f7c77a48-4
0.377
ALP-POS-cd485364-2
0.375
RUB-POS-1325a9ea-7
0.360
PET-UNK-f92d7c0c-8
0.357
ROB-UNI-daaf9793-4
0.357
RUB-POS-1325a9ea-20
0.357
PET-UNK-f92d7c0c-2
0.357
ALP-POS-8b8a49e1-7
0.355
MIC-UNK-42806bd5-1
0.351
ALP-POS-90e38439-2
0.351
MAT-POS-500ca5bf-2
0.351
MAT-POS-0c8fa4a7-3
0.349
RUB-POS-1325a9ea-6
0.349
MIC-UNK-0870516a-2
0.347
PET-UNK-f92d7c0c-9
0.344
MIC-UNK-0870516a-4
0.340
MIC-UNK-0870516a-1
0.340
JAN-GHE-5a013bed-5
0.338
PET-UNK-f92d7c0c-1
0.338
PET-UNK-f92d7c0c-6
0.338
MIC-UNK-13557a72-1
0.338
BEN-DND-1e24cf73-2
0.337
BEN-DND-1e24cf73-5
0.337
ALP-POS-902f21bb-1
0.333
MAT-POS-199e2e7c-1
0.333
MAT-POS-0bc33984-2
0.333
PET-UNK-f92d7c0c-4
0.333
PET-UNK-f92d7c0c-5
0.333
MIC-UNK-0870516a-3
0.330
RUB-POS-1325a9ea-21
0.330
EDJ-MED-a364e151-1
0.330
VLA-UCB-00f2c2b3-7
0.329
MIC-UNK-4c7b8ba7-1
0.329
VLA-UNK-411a133b-2
0.329
MIC-UNK-42806bd5-2
0.329
ALP-POS-90e38439-3
0.329
MIC-UNK-fc94cdb5-1
0.329
ALP-POS-8b8a49e1-5
0.329
MAT-POS-f7918075-7
0.326
RUB-POS-1325a9ea-1
0.326
RUB-POS-1325a9ea-23
0.326
NAU-LAT-a5c7d7cb-13
0.326
ALP-POS-90e38439-1
0.326
VLA-UCB-1dbca3b4-1
0.326
MAT-POS-4211dce8-1
0.326
JOH-UNI-abfda500-5
0.325
ANN-UNI-98d2bf15-3
0.325
VLA-UNK-411a133b-1
0.325
EDG-MED-0da5ad92-16
0.325
NAU-LAT-e1818702-7
0.325
JAG-UCB-a3ef7265-17
0.325
JAN-GHE-5a013bed-4
0.325
BEN-DND-1e24cf73-4
0.323
NAU-LAT-e1818702-8
0.322
EDJ-MED-50fe53e8-4
0.322
ALP-POS-6495d03e-7
0.322
MAT-POS-0c8fa4a7-4
0.322
BEN-DND-02317c5c-9
0.322
PET-UNK-f92d7c0c-7
0.321
VLA-UNK-4cf5aa07-2
0.321
EDJ-MED-49816e9b-5
0.321
SAD-SAT-24589cd1-7
0.321
ALP-POS-8b8a49e1-6
0.318
MIC-UNK-b12b7f76-2
0.318
RUB-POS-1325a9ea-16
0.318
PET-UNK-8df914d1-3
0.317
PET-UNK-f92d7c0c-3
0.317
JAN-GHE-5a013bed-11
0.316
EDJ-MED-976da9a6-1
0.315
RUB-POS-1325a9ea-15
0.315
ALP-POS-cd485364-1
0.315
JAN-GHE-f4ca5a00-17
0.314
JOH-UNI-6fede743-3
0.314
MAT-POS-bb423b95-6
0.314
JIN-POS-6dc588a4-19
0.314
ADA-UCB-6c2cb422-1
0.314
ALP-POS-8b8a49e1-8
0.313
JAN-GHE-5a013bed-10
0.312
JAN-GHE-5a013bed-1
0.312
JIN-POS-6dc588a4-2
0.310
JIN-POS-6dc588a4-9
0.310
EDJ-MED-50fe53e8-3
0.310
VLA-UNK-dc1d9354-1
0.310
VLA-UCB-1dbca3b4-2
0.310
MAT-POS-bb423b95-9
0.310
BEN-DND-1e24cf73-1
0.310
PET-UNK-8df914d1-2
0.310
MAT-POS-bb423b95-1
0.310
RUB-POS-1325a9ea-22
0.310
TRY-UNI-714a760b-3
0.310
MAT-POS-0bc33984-1
0.310
JOH-UNI-abfda500-4
0.310
SAM-UNK-2684b532-13
0.309