KT-109   

GtoPdb Ligand ID: 10245

Synonyms: KT109
Compound class: Synthetic organic
Comment: KT-109 is a diacylglycerol lipase inhibitor [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 51.02
Molecular weight 422.21
XLogP 6.17
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES O=C(N1CCCCC1Cc1ccccc1)n1nnc(c1)c1ccc(cc1)c1ccccc1
Isomeric SMILES O=C(N1CCCCC1Cc1ccccc1)n1nnc(c1)c1ccc(cc1)c1ccccc1
InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
InChI Key JKJMWHULJIOKPJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Synonyms
KT109
Database Links
BindingDB Ligand 50211236
CAS Registry No. 1402612-55-8 (source: PubChem)
ChEMBL Ligand CHEMBL2144065
GtoPdb PubChem SID 381744927
PubChem CID 53364540
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