AH13205   Click here for help

GtoPdb Ligand ID: 1928

Synonyms: AH 13205 | AH-13205
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 2
Rotatable bonds 13
Topological polar surface area 74.6
Molecular weight 388.26
XLogP 5.34
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O
Isomeric SMILES CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O
InChI InChI=1S/C24H36O4/c1-2-3-6-10-22(25)19-14-12-18(13-15-19)20-16-17-23(26)21(20)9-7-4-5-8-11-24(27)28/h12-15,20-22,25H,2-11,16-17H2,1H3,(H,27,28)
InChI Key XMQKDOCUWFCMEJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-[2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl]heptanoic acid
Synonyms Click here for help
AH 13205 | AH-13205
Database Links Click here for help
GtoPdb PubChem SID 135649907
PubChem CID 5310998
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