Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : WQY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2
2 InChIKey InChI 1.03 VKKZSJQQRIGUIE-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2c1ccccc1cc(CN)c2
4 SMILES CACTVS 3.385 NCc1cnc2ccccc2c1
5 SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cc(cn2)CN
6 Canonical SMILES CACTVS 3.385 NCc1cnc2ccccc2c1
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cc(cn2)CN