CIM0216   Click here for help

GtoPdb Ligand ID: 10297

Synonyms: CIM-0216
Compound class: Synthetic organic
Comment: CIM0216 is a synthetic TRPM3 ion channel activator [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 53.93
Molecular weight 349.18
XLogP 4.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1ON=C(C1)NC(=O)C(N1CCCc2c1cccc2)c1ccccc1
Isomeric SMILES CC1ON=C(C1)NC(=O)C(N1CCCc2c1cccc2)c1ccccc1
InChI InChI=1S/C21H23N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3,(H,22,23,25)
InChI Key DBBFLQPLKOEUQN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-2-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetamide
Synonyms Click here for help
CIM-0216
Database Links Click here for help
GtoPdb PubChem SID 381744978
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UniChem Connectivity Search for chemical match using the InChIKey DBBFLQPLKOEUQN-UHFFFAOYSA-N