General Information of the Compound
| Compound ID |
CP0533833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[[2-[4-(5-chloropyridin-3-yl)phenyl]-2-cyclopentylacetyl]-methylamino]-2-methylphenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31ClN2O3
|
||||||||||||||||||
| Molecular Weight |
491.031
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)C(C1CCCC1)c1ccc(cc1)-c1cncc(Cl)c1)c1cccc(CCC(O)=O)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31ClN2O3/c1-19-20(14-15-27(33)34)8-5-9-26(19)32(2)29(35)28(22-6-3-4-7-22)23-12-10-21(11-13-23)24-16-25(30)18-31-17-24/h5,8-13,16-18,22,28H,3-4,6-7,14-15H2,1-2H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSVUMKVQEUKSLE-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