General Information of the Compound
| Compound ID |
CP0466393
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyclopropyl-3-[3-[[1-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N2O5
|
||||||||||||||||||
| Molecular Weight |
536.713
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(=O)N(C)CC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N2O5/c1-32(2,3)21-33(4)31(37)27-12-11-25(38-5)18-29(27)34-15-13-22(14-16-34)20-39-26-8-6-7-24(17-26)28(19-30(35)36)23-9-10-23/h6-8,11-12,17-18,22-23,28H,9-10,13-16,19-21H2,1-5H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZBSKTSMJXOYBB-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