Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DLH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C19H18ClNO3/c20-15-7-5-14(6-8-15)13-18(22)21-11-9-19(10-12-21)23-16-3-1-2-4-17(16)24-19/h1-8H,9-13H2
2 InChIKey InChI 1.03 FYEGABNDKDAYPJ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl
5 Canonical SMILES CACTVS 3.385 Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl