Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 15V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H13ClN6O/c1-11-8-15(24(22-11)13-5-2-4-12(18)9-13)21-17(25)14-10-20-23-7-3-6-19-16(14)23/h2-10H,1H3,(H,21,25)
2 InChIKey InChI 1.03 YLBXBHSEZZNJPX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Clc1cccc(c1)n2nc(cc2NC(=O)c3c4ncccn4nc3)C
4 SMILES CACTVS 3.370 Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4cccc(Cl)c4
5 SMILES OpenEye OEToolkits 1.7.6 Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4
6 Canonical SMILES CACTVS 3.370 Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4cccc(Cl)c4
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4