SAR7334   

GtoPdb Ligand ID: 10283

Synonyms: SAR-7334
Compound class: Synthetic organic
Comment: SAR7334 blocks calcium entry via TRPC6, TRPC3 and TRPC7 ion channels [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 62.28
Molecular weight 367.15
XLogP 3.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1ccc(c(c1)Cl)OC1C(Cc2c1cccc2)N1CCCC(C1)N
Isomeric SMILES N#Cc1ccc(c(c1)Cl)O[C@H]1[C@@H](Cc2c1cccc2)N1CCC[C@H](C1)N
InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
InChI Key RLKRLNQEXBPQGQ-OZOXKJRCSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile
Synonyms
SAR-7334
Database Links
CAS Registry No. 1333210-07-3 (source: PubChem)
GtoPdb PubChem SID 381744964
PubChem CID 53378752
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