ronacaleret   Click here for help

GtoPdb Ligand ID: 9473

Synonyms: SB-751689
Compound class: Synthetic organic
Comment: Calcium sensing receptor negative allosteric modulator
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 78.79
Molecular weight 447.22
XLogP 4.4
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C
Isomeric SMILES O[C@@H](COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C
InChI InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1
InChI Key FQJISUPNMFRIFZ-HXUWFJFHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
8809 ronacaleret
Synonyms Click here for help
SB-751689
Database Links Click here for help
GtoPdb PubChem SID 329968413
PubChem CID 10345214
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