General Information of the Compound
| Compound ID |
CP0521908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-5-piperidin-1-yl-1H-indol-3-yl]-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H40ClN3O2
|
||||||||||||||||||
| Molecular Weight |
570.177
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)N1CCCCC1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H40ClN3O2/c1-37-32-16-14-29(38-20-6-3-7-21-38)24-31(32)30(34(37)27-10-12-28(36)13-11-27)15-17-33(40)39-22-18-35(41,19-23-39)25-26-8-4-2-5-9-26/h2,4-5,8-14,16,24,41H,3,6-7,15,17-23,25H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZFMTTIEYCQXLS-UHFFFAOYSA-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