Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : HLR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
2 InChIKey InChI 1.03 NLMVYUBGWZWUGB-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2oc1ccccc1c2N
4 SMILES CACTVS 3.385 Nc1noc2ccccc12
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)c(no2)N
6 Canonical SMILES CACTVS 3.385 Nc1noc2ccccc12
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)c(no2)N