Hetrombopag
5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic acid
Molecular Identity
Hetrombopag
5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic acid
PubChem CID: 135565610
2D Structure
Properties
C25H22N4O5
Molecular Formula
458.50
Molecular Weight
g/mol
458.1590
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
128
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
860
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=O)N(N1)C2=CC3=C(CCCC3)C=C2)N=NC4=CC=CC(=C4O)C5=CC=C(O5)C(=O)OIsomeric SMILES
SMILES: CC1=C(C(=O)N(N1)C2=CC3=C(CCCC3)C=C2)N=NC4=CC=CC(=C4O)C5=CC=C(O5)C(=O)OSynonyms(20)
HetrombopagRafutrombopagSHR-87351257792-41-8Rafutrombopag [INN]2600513-51-5SHR8735Hetrombopag [WHO-DD]9WGT51BDDL5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic acid(Z)-5-(2-Hydroxy-3-(2-(3-methyl-5-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4(5H)-ylidene)hydrazinyl)phenyl) furan-2-carboxylic acid(Z)-5-(2-Hydroxy-3-(2-(3-methyl-5-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4(5H)-ylidene)hydrazinyl)phenyl)furan-2-carboxylic acid5-(5-(2-(5-Methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-6-oxocyclohexa-1,3-dien-1-yl)furan-2-carboxylic acidHengqu2-Furancarboxylic acid, 5-(3-((2Z)-2-(1,5-dihydro-3-methyl-5-oxo-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-4H-pyrazol-4-ylidene)hydrazinyl)-2-hydroxyphenyl)-
Data from PubChem (NCBI)
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