CP-775146   Click here for help

GtoPdb Ligand ID: 6691

Synonyms: CP775146
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 66.84
Molecular weight 423.24
XLogP 4.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCCC(C1)c1cccc(c1)OC(C(=O)O)(C)C)Cc1ccc(cc1)C(C)C
Isomeric SMILES O=C(N1CCC[C@H](C1)c1cccc(c1)OC(C(=O)O)(C)C)Cc1ccc(cc1)C(C)C
InChI InChI=1S/C26H33NO4/c1-18(2)20-12-10-19(11-13-20)15-24(28)27-14-6-8-22(17-27)21-7-5-9-23(16-21)31-26(3,4)25(29)30/h5,7,9-13,16,18,22H,6,8,14-15,17H2,1-4H3,(H,29,30)/t22-/m1/s1
InChI Key OISHBINQIFNIPV-JOCHJYFZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-methyl-2-[3-[(3S)-1-[2-(4-propan-2-ylphenyl)acetyl]piperidin-3-yl]phenoxy]propanoic acid
Synonyms Click here for help
CP775146
Database Links Click here for help
GtoPdb PubChem SID 178103303
PubChem CID 10410059
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UniChem Compound Search for chemical match using the InChIKey OISHBINQIFNIPV-JOCHJYFZSA-N
UniChem Connectivity Search for chemical match using the InChIKey OISHBINQIFNIPV-JOCHJYFZSA-N

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Tocris
CP 775146 (links to external site)
Cat. No. 4190