Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : H4T    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2
2 InChIKey InChI 1.03 DGXBFJCZWBOKKO-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2
4 SMILES OpenEye OEToolkits 2.0.6 c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl
5 Canonical SMILES CACTVS 3.385 Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl