Cudetaxestat
3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorobenzoic acid
Molecular Identity
Cudetaxestat
3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorobenzoic acid
PubChem CID: 91809202
2D Structure
Properties
C21H15Cl2F2N3O2S
Molecular Formula
482.30
Molecular Weight
g/mol
481.0230
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
85.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
654
Complexity
SMILES
Canonical SMILES
SMILES: CCCN1C=C(C=N1)N2C3=C(C=CC(=C3F)Cl)C(=C2Cl)SC4=CC=CC(=C4F)C(=O)OIsomeric SMILES
SMILES: CCCN1C=C(C=N1)N2C3=C(C=CC(=C3F)Cl)C(=C2Cl)SC4=CC=CC(=C4F)C(=O)OSynonyms(20)
Cudetaxestat6B7TYB2MJXCUDETAXESTAT [INN]3-((2,6-Dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl)thio)-2-fluorobenzoic acidRefChem:1287361782070-21-6UNII-6B7TYB2MJXBLD-0409PAT-409Benzoic acid, 3-((2,6-dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl)thio)-2-fluoro-3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorobenzoic acidorb1686850CHEMBL4802146SCHEMBL16739453SCHEMBL29510348
Data from PubChem (NCBI)
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