General Information of the Compound
| Compound ID |
CP0864598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4'-(3-(hydroxyimino)-3-(2-methylpyridin-4-yl)-1-o-tolylpropyl)biphenyl-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26N2O3
|
||||||||||||||||||
| Molecular Weight |
450.538
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(/C(CC(c2ccc(-c3cccc(C(=O)O)c3)cc2)c2ccccc2C)=N/O)ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26N2O3/c1-19-6-3-4-9-26(19)27(18-28(31-34)24-14-15-30-20(2)16-24)22-12-10-21(11-13-22)23-7-5-8-25(17-23)29(32)33/h3-17,27,34H,18H2,1-2H3,(H,32,33)/b31-28+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZXVWGBFYAAUGQ-CCFHIKDMSA-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
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1