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QKG

Summary
Name:4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide
Formula:C17 H19 N3 O2
Formal charge:0
Formula weight:297.352 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide
OpenEye OEToolkits2.0.74-(7-methoxy-1-methyl-pyrido[3,4-b]indol-9-yl)butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(Cn3c1c(ccc(c1)OC)c2ccnc(C)c23)CC(=O)N
InChIInChI1.03InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21)
InChIKeyInChI1.03MRZRJTZGNFPMNY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2c(c1)n(CCCC(N)=O)c3c(C)nccc23
SMILESCACTVS3.385COc1ccc2c(c1)n(CCCC(N)=O)c3c(C)nccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC
SMILESOpenEye OEToolkits2.0.7Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC

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PDB entries from 2024-08-07

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