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H0B

Summary
Name:6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide
Formula:C20 H15 Cl2 N5 O2
Formal charge:0
Formula weight:428.271 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H15Cl2N5O2/c1-26-10-13(8-24-26)25-19(28)15-11-27(9-12-4-5-16(21)17(22)7-12)20(29)14-3-2-6-23-18(14)15/h2-8,10-11H,9H2,1H3,(H,25,28)
InChIKeyInChI1.03SVPAXEMWEZLCLS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cccnc24)cn1
SMILESCACTVS3.385Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cccnc24)cn1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl
SMILESOpenEye OEToolkits2.0.6Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl

227344

数据于2024-11-13公开中

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