Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1L1X

Summary
Name:2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
Formula:C32 H34 F N3 O5
Formal charge:0
Formula weight:559.628 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C32H34FN3O5/c1-8-27-34-24(16-39-7)28(35-27)26-14-22-30(41-26)23(15-36(6)31(22)37)21-13-19(32(4,5)38)9-10-25(21)40-29-17(2)11-20(33)12-18(29)3/h9-15,38H,8,16H2,1-7H3,(H,34,35)
InChIKeyInChI1.06FGMZZPSGWQQHGY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1[nH]c(c(COC)n1)c2oc3c(c2)C(=O)N(C)C=C3c4cc(ccc4Oc5c(C)cc(F)cc5C)C(C)(C)O
SMILESCACTVS3.385CCc1[nH]c(c(COC)n1)c2oc3c(c2)C(=O)N(C)C=C3c4cc(ccc4Oc5c(C)cc(F)cc5C)C(C)(C)O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCc1[nH]c(c(n1)COC)c2cc3c(o2)C(=CN(C3=O)C)c4cc(ccc4Oc5c(cc(cc5C)F)C)C(C)(C)O
SMILESOpenEye OEToolkits2.0.7CCc1[nH]c(c(n1)COC)c2cc3c(o2)C(=CN(C3=O)C)c4cc(ccc4Oc5c(cc(cc5C)F)C)C(C)(C)O

251801

PDB entries from 2026-04-08

PDB statisticsPDBj update infoContact PDBjnumon