Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : Q7L    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
2 InChIKey InChI 1.03 LOPAFWMOCZGHFX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c1cc(cc2OCOc12)c1cc[NH]n1
4 SMILES CACTVS 3.385 C1Oc2ccc(cc2O1)c3cc[nH]n3
5 SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1c3cc[nH]n3)OCO2
6 Canonical SMILES CACTVS 3.385 C1Oc2ccc(cc2O1)c3cc[nH]n3
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1c3cc[nH]n3)OCO2