Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PXZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H12N2O4/c1-7-3-4-9(5-19)12-15(7)22-16-8(2)14(21)11(17)10(6-20)13(16)18-12/h3-6H,17H2,1-2H3
2 InChIKey InChI 1.03 DVSBNVQZBAXORT-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C
4 SMILES CACTVS 3.341 Cc1ccc(C=O)c2N=C3C(=C(C)C(=O)C(=C3C=O)N)Oc12
5 SMILES OpenEye OEToolkits 1.5.0 Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O
6 Canonical SMILES CACTVS 3.341 Cc1ccc(C=O)c2N=C3C(=C(C)C(=O)C(=C3C=O)N)Oc12
7 Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O