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Chemical structure of Chymase-IN-2

GC32031

Chymase-IN-2

Also known as [1-(5-chloro-1-benzothiophen-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid

Chymase-IN-2 is a chymase modulator which is useful in the treatment of inflammatory and serine protease mediated disorders

ChemicalCAS936366-22-2MW441.82FormulaC19H15ClF2NO3PS
CAS number
936366-22-2
Molecular weight
441.82
Formula
C19H15ClF2NO3PS
Solubility
Soluble in DMSO
InChIKey
SEXLHAASDZPHOM-VOTSOKGWSA-N
Catalogue number
GC32031
Brand
GLPBIO
Computed properties PubChem CID 11305284 · XLogP 3.8 · TPSA 94.6 Ų · H-bond donors 2
XLogP
3.8
TPSA
94.6 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28

SMILES CP(=O)(C(C1=CSC2=C1C=C(C=C2)Cl)C(=O)N/C=C/C3=CC(=C(C=C3)F)F)O

Computed descriptors from PubChem (CID 11305284), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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