LY382884   Click here for help

GtoPdb Ligand ID: 4247

Synonyms: LY 382884 | LY-382884
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 86.63
Molecular weight 317.16
XLogP 3.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1NCC2C(C1)CC(CC2)Cc1ccc(cc1)C(=O)O
Isomeric SMILES OC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)Cc1ccc(cc1)C(=O)O
InChI InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1
InChI Key YVMADKYPKNLVGU-BVUBDWEXSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-decahydroisoquinoline-3-carboxylic acid
Synonyms Click here for help
LY 382884 | LY-382884
Database Links Click here for help
ChEBI CHEBI:34808
ChEMBL Ligand CHEMBL274226
GtoPdb PubChem SID 178101064
PubChem CID 656723
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