General Information of the Compound
| Compound ID |
CP0453594
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-3,5-dimethyl-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H39Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
608.61
|
||||||||||||||||||
| Canonical SMILES |
COc1c(C)cc(cc1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H39Cl2N3O3/c1-23-19-25(20-24(2)30(23)42-3)31(40)39-18-12-33(22-39,27-9-10-28(35)29(36)21-27)11-15-38-16-13-34(14-17-38,32(37)41)26-7-5-4-6-8-26/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDLIUHVXEYVLGX-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