BTP2   

GtoPdb Ligand ID: 2438

Synonyms: YM-58483
Compound class: Synthetic organic
Comment: BTP2 (YM-58483) is a small molecule store-operated Ca2+ release-activated Ca2+ (CRAC) channel inhibitor [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 100.42
Molecular weight 421.04
XLogP 3.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1snnc1C)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Isomeric SMILES O=C(c1snnc1C)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
InChI InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)
InChI Key XPRZIORDEVHURQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
Synonyms
YM-58483
Database Links
CAS Registry No. 23499-30-7
ChEMBL Ligand CHEMBL262766
GtoPdb PubChem SID 135650028
PubChem CID 2455
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Tocris
YM 58483
Cat. No. 3939