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IDQ

Summary
Name:1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
Formula:C22 H25 N5
Formal charge:0
Formula weight:359.467 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.9.21-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)
InChIKeyInChI1.03SDSKFWHQCNBICO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccc(CN)cc4
SMILESCACTVS3.385CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccc(CN)cc4
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N
SMILESOpenEye OEToolkits1.9.2CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N

219869

PDB entries from 2024-05-15

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