Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LXA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
2 InChIKey InChI 1.03 LZINBAGZNCYRNQ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COCC(=O)NCc1[nH]c2ccccc2n1
4 SMILES OpenEye OEToolkits 2.0.6 COCC(=O)NCc1[nH]c2ccccc2n1
5 Canonical SMILES CACTVS 3.385 COCC(=O)NCc1[nH]c2ccccc2n1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 COCC(=O)NCc1[nH]c2ccccc2n1