rivenprost   Click here for help

GtoPdb Ligand ID: 1930

Synonyms: ONO-4819 | ONO4819
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 118.36
Molecular weight 450.21
XLogP 1.98
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COCc1cccc(c1)CC(C=CC1C(O)CC(=O)C1CCSCCCC(=O)OC)O
Isomeric SMILES COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O
InChI InChI=1S/C24H34O6S/c1-29-16-18-6-3-5-17(13-18)14-19(25)8-9-20-21(23(27)15-22(20)26)10-12-31-11-4-7-24(28)30-2/h3,5-6,8-9,13,19-22,25-26H,4,7,10-12,14-16H2,1-2H3/b9-8+/t19-,20-,21-,22-/m1/s1
InChI Key FBQUXLIJKPWCAO-AZIFJQEOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl 4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoate
International Nonproprietary Names Click here for help
INN number INN
8601 rivenprost
Synonyms Click here for help
ONO-4819 | ONO4819
Database Links Click here for help
BindingDB Ligand 50318871
CAS Registry No. 256382-08-8 (source: Scifinder)
ChEMBL Ligand CHEMBL303960
GtoPdb PubChem SID 135650764
PubChem CID 9803828
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