General Information of the Compound
| Compound ID |
CP0399795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cyclobutyl-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40N4O
|
||||||||||||||||||
| Molecular Weight |
460.666
|
||||||||||||||||||
| Canonical SMILES |
CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)C2CCC2)CC1)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40N4O/c1-2-17-33(28-13-6-7-16-30-28)26-14-18-31(19-15-26)20-25-21-32(29(34)24-11-8-12-24)22-27(25)23-9-4-3-5-10-23/h3-7,9-10,13,16,24-27H,2,8,11-12,14-15,17-22H2,1H3/t25-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OAXSOMBRDKAEHG-AHKZPQOWSA-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