KM11060   Click here for help

GtoPdb Ligand ID: 4234

Synonyms: KM 11060 | KM-11060
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 61.89
Molecular weight 421.04
XLogP 4.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccnc2c1ccc(c2)Cl
Isomeric SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccnc2c1ccc(c2)Cl
InChI InChI=1S/C19H17Cl2N3O2S/c20-14-1-4-16(5-2-14)27(25,26)24-11-9-23(10-12-24)19-7-8-22-18-13-15(21)3-6-17(18)19/h1-8,13H,9-12H2
InChI Key GIEHIZKCIZLXLF-UHFFFAOYSA-N
Ligand mentioned in the following text fields