Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EJU

Summary
Name:8-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
Formula:C23 H25 N5 O
Formal charge:0
Formula weight:387.478 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.78-[4-[(dimethylamino)methyl]phenyl]-~{N}-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H25N5O/c1-27(2)15-17-8-10-18(11-9-17)20-12-13-22(28-16-25-26-23(20)28)24-14-19-6-4-5-7-21(19)29-3/h4-13,16,24H,14-15H2,1-3H3
InChIKeyInChI1.03QKLHJAGJPBYRBR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1CNc2ccc(c3ccc(CN(C)C)cc3)c4nncn24
SMILESCACTVS3.385COc1ccccc1CNc2ccc(c3ccc(CN(C)C)cc3)c4nncn24
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC
SMILESOpenEye OEToolkits2.0.7CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon