Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : T8V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H7ClN2O/c1-5(11)10-6-3-2-4-9-7(6)8/h2-4H,1H3,(H,10,11)
2 InChIKey InChI 1.03 KWZIDENWDCKKPW-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n1cccc(c1Cl)NC(C)=O
4 SMILES CACTVS 3.385 CC(=O)Nc1cccnc1Cl
5 SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1cccnc1Cl
6 Canonical SMILES CACTVS 3.385 CC(=O)Nc1cccnc1Cl
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1cccnc1Cl