Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : YRA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H17ClN2O/c17-15-10-12(11-19-9-8-16(18)20)6-7-14(15)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2,(H2,18,20)
2 InChIKey InChI 1.03 ZYJVPHMDRCBKBZ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N
5 Canonical SMILES CACTVS 3.385 NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N