Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : D4V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
2 InChIKey InChI 1.03 MVKDNXIKAWKCCS-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c1nc(O)c(cc1)C
4 SMILES CACTVS 3.385 Cc1cccnc1O
5 SMILES OpenEye OEToolkits 2.0.6 Cc1cccnc1O
6 Canonical SMILES CACTVS 3.385 Cc1cccnc1O
7 Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cccnc1O