AGN194204   Click here for help

GtoPdb Ligand ID: 2811

Synonyms: AGN 194204 | AGN-194204
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.3
Molecular weight 352.24
XLogP 7.54
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C=C(C=CC1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)C
Isomeric SMILES OC(=O)/C=C(/C=C/C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)\C
InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+
InChI Key BOOOLEGQBVUTKC-YWRSBGDESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2E,4E)-3-methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-6, 7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
Synonyms Click here for help
AGN 194204 | AGN-194204
Database Links Click here for help
BindingDB Ligand 50101444
ChEBI CHEBI:208623
ChEMBL Ligand CHEMBL69091
GtoPdb PubChem SID 135649905
PubChem CID 9863342
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