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10T

Summary
Name:5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid
Synonyms:TAK-986
Formula:C19 H24 N2 O2
Formal charge:0
Formula weight:312.406 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid
OpenEye OEToolkits1.7.05-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1c(nc(c(c1c2ccc(cc2)C)CN)CC(C)C)C
SMILES_CANONICALCACTVS3.370CC(C)Cc1nc(C)c(C(O)=O)c(c2ccc(C)cc2)c1CN
SMILESCACTVS3.370CC(C)Cc1nc(C)c(C(O)=O)c(c2ccc(C)cc2)c1CN
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN
SMILESOpenEye OEToolkits1.7.0Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN
InChIInChI1.03InChI=1S/C19H24N2O2/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)
InChIKeyInChI1.03NOAXOYPKZRNSHN-UHFFFAOYSA-N

223790

数据于2024-08-14公开中

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