Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2ZT    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2
2 InChIKey InChI 1.03 XVPLFTQUQMWPKC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4
4 SMILES CACTVS 3.385 C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3
6 Canonical SMILES CACTVS 3.385 C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3