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UK7

Summary
Name:3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
Formula:C18 H19 N3 O S
Formal charge:0
Formula weight:325.428 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
OpenEye OEToolkits2.0.73-[6-(aminomethyl)-1-(2-hydroxyethyl)indol-3-yl]benzenecarbothioamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)ccc3
InChIInChI1.03InChI=1S/C18H19N3OS/c19-10-12-4-5-15-16(11-21(6-7-22)17(15)8-12)13-2-1-3-14(9-13)18(20)23/h1-5,8-9,11,22H,6-7,10,19H2,(H2,20,23)
InChIKeyInChI1.03CIMSFIOQZTXZEP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C(N)=S
SMILESCACTVS3.385NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C(N)=S
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO

222415

數據於2024-07-10公開中

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