General Information of the Compound
| Compound ID |
CP0405272
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropoxy-phenyl)-acetyl]-pyrrolidin-3-yl}-ethyl)-4-phenyl-piperidine-4-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H41Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
622.637
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cccc(CC(=O)N2CCC(CCN3CCC(CC3)(C(N)=O)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H41Cl2N3O3/c1-25(2)43-29-10-6-7-26(21-29)22-32(41)40-20-14-34(24-40,28-11-12-30(36)31(37)23-28)13-17-39-18-15-35(16-19-39,33(38)42)27-8-4-3-5-9-27/h3-12,21,23,25H,13-20,22,24H2,1-2H3,(H2,38,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBKRXYVTNUALQH-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