General Information of the Compound
| Compound ID |
CP0409464
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((3S,4S)-3-((4-(allyl(pyridin-4-yl)amino)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)(cyclohexyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H42N4O
|
||||||||||||||||||
| Molecular Weight |
486.704
|
||||||||||||||||||
| Canonical SMILES |
C=CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCCCC2)CC1)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H42N4O/c1-2-19-35(28-13-17-32-18-14-28)29-15-20-33(21-16-29)22-27-23-34(31(36)26-11-7-4-8-12-26)24-30(27)25-9-5-3-6-10-25/h2-3,5-6,9-10,13-14,17-18,26-27,29-30H,1,4,7-8,11-12,15-16,19-24H2/t27-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOGXFXDKOAITDQ-BHBYDHKZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound