GSK1702934A   Click here for help

GtoPdb Ligand ID: 10278

Compound class: Synthetic organic
Comment: GSK1702934A acts as a TRPC3/TRPC6 channel activator/agonist [2] (structure obtained from [1]).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 86.34
Molecular weight 395.17
XLogP 2.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Isomeric SMILES O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2
InChI InChI=1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27)
InChI Key AXWRAIIIBRLXBP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
Database Links Click here for help
CAS Registry No. 924377-85-5 (source: PubChem)
GtoPdb PubChem SID 381744959
PubChem CID 16376051
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Tocris
GSK 1702934A
Cat. No. 6508