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VK8

Summary
Name:6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Formula:C25 H20 N4 O3
Formal charge:0
Formula weight:424.451 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2
InChIKeyInChI1.03FAFQJYQLYIUGAT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1
SMILESCACTVS3.385Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CC2=NC(=CN3C2=NN(C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC2=NC(=CN3C2=NN(C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O

225946

PDB entries from 2024-10-09

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