AH23848   

GtoPdb Ligand ID: 1949

Synonyms: (-)-AH23848 | (-)AH23848 | AH 23848 | AH-23848
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 76.07
Molecular weight 477.25
XLogP 4.21
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CCC=CCCC1C(OCc2ccc(cc2)c2ccccc2)CC(=O)C1N1CCOCC1
Isomeric SMILES OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1
InChI InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m0/s1
InChI Key IOFUFYLETVNNRF-OSAZKUMMSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
Synonyms
(-)-AH23848 | (-)AH23848 | AH 23848 | AH-23848
Database Links
GtoPdb PubChem SID 135649908
PubChem CID 5310999
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