LY466195   Click here for help

GtoPdb Ligand ID: 4250

Synonyms: LY 466195 | LY-466195
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 89.87
Molecular weight 346.17
XLogP 1.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F
Isomeric SMILES OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F
InChI InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)
InChI Key OXQXJYQSWZFDBB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[(2-carboxy-4,4-difluoropyrrolidin-1-yl)methyl]-decahydroisoquinoline-3-carboxylic acid
Synonyms Click here for help
LY 466195 | LY-466195
Database Links Click here for help
GtoPdb PubChem SID 178101067
PubChem CID 10168249
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