General Information of the Compound
| Compound ID |
CP0532788
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyclopropyl-3-[3-[[1-[2-(3,3-dimethylbutyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H43NO4
|
||||||||||||||||||
| Molecular Weight |
493.688
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCC(C)(C)C)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H43NO4/c1-31(2,3)15-12-24-10-11-26(35-4)19-29(24)32-16-13-22(14-17-32)21-36-27-7-5-6-25(18-27)28(20-30(33)34)23-8-9-23/h5-7,10-11,18-19,22-23,28H,8-9,12-17,20-21H2,1-4H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQPHVUYTWUOUSR-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