Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2V8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C24H18Cl2N2O2/c1-14-5-3-7-17(11-14)23-27-21(24(29)30)22(16-6-4-8-18(25)12-16)28(23)20-13-19(26)10-9-15(20)2/h3-13H,1-2H3,(H,29,30)
2 InChIKey InChI 1.03 UYJZPBBJELZWKZ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Clc4cccc(c3c(nc(c1cccc(c1)C)n3c2c(ccc(Cl)c2)C)C(=O)O)c4
4 SMILES CACTVS 3.385 Cc1cccc(c1)c2nc(C(O)=O)c(n2c3cc(Cl)ccc3C)c4cccc(Cl)c4
5 SMILES OpenEye OEToolkits 1.7.6 Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O
6 Canonical SMILES CACTVS 3.385 Cc1cccc(c1)c2nc(C(O)=O)c(n2c3cc(Cl)ccc3C)c4cccc(Cl)c4
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O