Molecule Details
| Molecular Properties | |
| SMILES: | O=C1CN(C(=O)Cc2cccc(Cl)c2)Cc2ccccc21 |
| MW: | 299.07 |
| Fraction sp3: | 0.18 |
| HBA: | 2 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 37.38 |
| cLogP: | 3.11 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-05-29 |
| Synthesis Location: | enamine |
| Shipped: | 2021-07-07 |
Ketone
NAM-UNK-f7c77a48-3
0.678
MAT-POS-7174c657-3
0.507
ROB-CAM-6936528f-1
0.461
ROB-UNI-daaf9793-4
0.461
SAD-SAT-b55127ae-1
0.457
MAT-POS-7174c657-2
0.430
ROB-UNI-daaf9793-3
0.418
ALP-POS-8b8a49e1-6
0.397
RUB-POS-1325a9ea-16
0.397
NAM-UNK-f7c77a48-4
0.392
SAM-UNK-2684b532-14
0.383
MAT-POS-0c8fa4a7-3
0.380
MIC-UNK-42806bd5-2
0.378
ALP-POS-8b8a49e1-5
0.378
ALP-POS-90e38439-3
0.378
RUB-POS-1325a9ea-6
0.378
RUB-POS-1325a9ea-22
0.372
JAN-GHE-5a013bed-5
0.371
MAT-POS-500ca5bf-2
0.365
ALP-POS-90e38439-2
0.365
MIC-UNK-42806bd5-1
0.365
ALP-POS-902f21bb-1
0.361
MIC-UNK-fc94cdb5-1
0.360
EDJ-MED-c292668a-3
0.360
ALP-POS-8b8a49e1-8
0.359
JAN-GHE-f4ca5a00-14
0.358
JAN-GHE-f4ca5a00-17
0.358
RUB-POS-1325a9ea-7
0.357
JAN-GHE-5a013bed-4
0.355
PET-UNK-f92d7c0c-8
0.354
RUB-POS-1325a9ea-20
0.354
PET-UNK-f92d7c0c-2
0.354
EDJ-MED-c292668a-2
0.352
ALP-POS-8b8a49e1-7
0.351
MIC-UNK-13557a72-1
0.351
MAT-POS-0c8fa4a7-4
0.349
ALP-POS-6495d03e-7
0.349
JAN-GHE-5a013bed-11
0.347
MAT-POS-0bc33984-2
0.346
JAN-GHE-5a013bed-2
0.346
JAN-GHE-5a013bed-1
0.342
MIC-UNK-4c7b8ba7-1
0.342
RUB-POS-1325a9ea-21
0.341
ALP-POS-cd485364-1
0.341
PET-UNK-8df914d1-4
0.338
VLA-UNK-411a133b-1
0.338
JAG-UCB-a3ef7265-15
0.338
ALP-POS-90e38439-1
0.337
VLA-UCB-1dbca3b4-2
0.337
VLA-UNK-dc1d9354-1
0.337
RUB-POS-1325a9ea-23
0.337
NAU-LAT-a5c7d7cb-13
0.337
JIN-POS-6dc588a4-2
0.337
VLA-UCB-1dbca3b4-1
0.337
ALP-POS-79636100-3
0.337
MAT-POS-53907a1c-1
0.333
MAT-POS-0c8fa4a7-2
0.333
NAU-LAT-e1818702-9
0.333
EDJ-MED-49816e9b-3
0.333
EDJ-MED-49816e9b-5
0.333
JAN-GHE-5a013bed-3
0.329
ROB-UNI-daaf9793-2
0.329
NAU-LAT-a5c7d7cb-14
0.329
PET-UNK-8df914d1-5
0.329
JAN-GHE-f4ca5a00-16
0.329
MIC-UNK-66895286-1
0.329
PET-UNK-f92d7c0c-4
0.329
PET-UNK-f92d7c0c-5
0.329
ALP-POS-cd485364-2
0.326
PET-UNK-f92d7c0c-9
0.326
MIH-UNI-e573136b-8
0.326
MAT-POS-bfb445d4-2
0.325
VLA-UNK-411a133b-2
0.325
JAN-GHE-5a013bed-10
0.325
HYO-UNK-49a60884-1
0.324
AAR-POS-d2a4d1df-35
0.324
MED-COV-4280ac29-15
0.324
JOH-UNI-0e1753c1-3
0.324
EDJ-MED-6e43a462-11
0.322
MAT-POS-4211dce8-1
0.321
PET-UNK-8df914d1-2
0.321
BEN-DND-1e24cf73-1
0.321
JIN-POS-6dc588a4-9
0.321
ALP-POS-95b75b4d-5
0.321
MAT-POS-bb423b95-4
0.321
MAT-POS-0bc33984-1
0.321
NAU-LAT-e1818702-7
0.321
JAG-UCB-a3ef7265-17
0.321
JAN-GHE-5a013bed-6
0.320
JAN-GHE-5a013bed-9
0.320
PET-UNK-158bee2a-2
0.320
BEN-DND-02317c5c-9
0.318
EDJ-MED-50fe53e8-4
0.318
VLA-UNK-4cf5aa07-2
0.317
NAU-LAT-e1818702-1
0.317
JAN-GHE-f4ca5a00-12
0.317
PET-UNK-f92d7c0c-6
0.316
PET-UNK-f92d7c0c-1
0.316
JAN-GHE-5a013bed-7
0.316
NAU-LAT-e1818702-10
0.316