LY593093   Click here for help

GtoPdb Ligand ID: 5441

Synonyms: LY 593093 | LY-593093
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 2
Rotatable bonds 8
Topological polar surface area 64.93
Molecular weight 507.23
XLogP 6.83
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC1Cc2c(C1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C
Isomeric SMILES O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C
InChI InChI=1S/C32H30FN3O2/c1-21(36(2)20-22-8-15-27(33)16-9-22)34-28-17-14-26-18-30(37)31(29(26)19-28)35-32(38)25-12-10-24(11-13-25)23-6-4-3-5-7-23/h3-17,19,30-31,37H,18,20H2,1-2H3,(H,35,38)/t30-,31-/m1/s1
InChI Key KOQVBYSCBCRVQJ-FIRIVFDPSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(1R,2R)-6-[1-[(4-fluorophenyl)methyl-methylamino]ethylideneamino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-phenylbenzamide
Synonyms Click here for help
LY 593093 | LY-593093
Database Links Click here for help
GtoPdb PubChem SID 178102092
PubChem CID 9893054
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