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KMU

Summary
Name:2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide
Formula:C22 H19 Cl N2 O2
Formal charge:0
Formula weight:378.851 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H19ClN2O2/c23-18-10-11-19-17(20(18)15-8-4-5-9-16(15)21(25)26)12-22(13-24,27-19)14-6-2-1-3-7-14/h1-11H,12-13,24H2,(H2,25,26)/t22-/m1/s1
InChIKeyInChI1.06CBDKNPCPJRZPOB-JOCHJYFZSA-N
SMILES_CANONICALCACTVS3.385NC[C@]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)c4ccccc4
SMILESCACTVS3.385NC[C]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)[C@@]2(Cc3c(ccc(c3c4ccccc4C(=O)N)Cl)O2)CN
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C2(Cc3c(ccc(c3c4ccccc4C(=O)N)Cl)O2)CN

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건을2024-07-10부터공개중

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