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SummaryGeometryRelated PDB entries

2GG

Summary
Name:5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE
Formula:C19 H17 Cl N2 O5
Formal charge:0
Formula weight:388.802 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
OpenEye OEToolkits1.5.05-(5-chloro-2,4-dihydroxy-phenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c2noc(c2c1ccc(OC)cc1)c3cc(Cl)c(O)cc3O)NCC
SMILES_CANONICALCACTVS3.341CCNC(=O)c1noc(c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3
SMILESCACTVS3.341CCNC(=O)c1noc(c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC
SMILESOpenEye OEToolkits1.5.0CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC
InChIInChI1.03InChI=1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)
InChIKeyInChI1.03JXPCDMPJCKNLBY-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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