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SummaryGeometryRelated PDB entries

PDR

Summary
Name:3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine
Formula:C17 H15 Cl N4 O2
Formal charge:0
Formula weight:342.78 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine
OpenEye OEToolkits1.7.03-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-pyrrolo[3,2-b]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3c4cc(c2c1nc(OC)c(OC)cc1n(c2)C)nc4ncc3
SMILES_CANONICALCACTVS3.370COc1cc2n(C)cc(c3[nH]c4nccc(Cl)c4c3)c2nc1OC
SMILESCACTVS3.370COc1cc2n(C)cc(c3[nH]c4nccc(Cl)c4c3)c2nc1OC
SMILES_CANONICALOpenEye OEToolkits1.7.0Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl
SMILESOpenEye OEToolkits1.7.0Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl
InChIInChI1.03InChI=1S/C17H15ClN4O2/c1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3/h4-8H,1-3H3,(H,19,20)
InChIKeyInChI1.03ISLVGFDZMORPFI-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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