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R9E

Summary
Name:2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide
Formula:C18 H14 Cl F N2 O2
Formal charge:0
Formula weight:344.767 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide
OpenEye OEToolkits2.0.72-(3-chlorophenyl)-~{N}-(7-fluoranyl-6-methoxy-isoquinolin-4-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2cc(F)c(cc21)OC
InChIInChI1.06InChI=1S/C18H14ClFN2O2/c1-24-17-8-14-12(7-15(17)20)9-21-10-16(14)22-18(23)6-11-3-2-4-13(19)5-11/h2-5,7-10H,6H2,1H3,(H,22,23)
InChIKeyInChI1.06KXCZEZCRICVIKU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc2c(NC(=O)Cc3cccc(Cl)c3)cncc2cc1F
SMILESCACTVS3.385COc1cc2c(NC(=O)Cc3cccc(Cl)c3)cncc2cc1F
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc2c(cc1F)cncc2NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7COc1cc2c(cc1F)cncc2NC(=O)Cc3cccc(c3)Cl

218853

PDB entries from 2024-04-24

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