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Chemical structure of EP1-antanoist-1

GC31202

EP1-antanoist-1

Also known as 1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid

EP1-antanoist-1 is a EP1 antagonist with a pKi of 7·54 and an pIC50 of 8·5

ChemicalCAS851204-35-8MW470.14FormulaC19H15BrCl2N2O3
CAS number
851204-35-8
Molecular weight
470.14
Formula
C19H15BrCl2N2O3
Solubility
DMSO ： 55 mg/mL (116·99 mM; Need ultrasonic and warming)
InChIKey
XBECMWNKXTURNS-UHFFFAOYSA-N
Catalogue number
GC31202
Brand
GLPBIO
Computed properties PubChem CID 11340370 · XLogP 5.5 · TPSA 64.4 Ų · H-bond donors 1
XLogP
5.5
TPSA
64.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

SMILES CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

Computed descriptors from PubChem (CID 11340370), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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