General Information of the Compound
| Compound ID |
CP0375212
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[3-[2-(4-carbamoyl-4-phenylpiperidin-1-yl)ethyl]-3-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]-2,6-dimethoxyphenyl] ethyl carbonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H41Cl2N3O7
|
||||||||||||||||||
| Molecular Weight |
698.644
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H41Cl2N3O7/c1-4-47-34(44)48-31-29(45-2)20-24(21-30(31)46-3)32(42)41-19-13-35(23-41,26-10-11-27(37)28(38)22-26)12-16-40-17-14-36(15-18-40,33(39)43)25-8-6-5-7-9-25/h5-11,20-22H,4,12-19,23H2,1-3H3,(H2,39,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGMDMAIELUZENW-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