Casdatifan
(5R,6S,8R)-3,5,6-trifluoro-8-[(1S,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
Molecular Identity
Casdatifan
(5R,6S,8R)-3,5,6-trifluoro-8-[(1S,2R)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
PubChem CID: 156859185
2D Structure
Properties
C21H17F4NO3S
Molecular Formula
439.40
Molecular Weight
g/mol
439.0865
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
86.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
811
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)C1=C2C(C(CC2=C(C=C1)C3CC(C(C4=CC(=CC(=C34)C#N)F)F)F)F)OIsomeric SMILES
SMILES: CS(=O)(=O)C1=C2[C@@H]([C@@H](CC2=C(C=C1)[C@H]3C[C@@H]([C@@H](C4=CC(=CC(=C34)C#N)F)F)F)F)OSynonyms(20)
Casdatifan2709069-30-5DP73UWL6LERefChem:1081279AB521(5R,6S,8R)-3,5,6-trifluoro-8-((1S,2R)-2-fluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrilecasdatifan [INN]Casdatifan [WHO-DD]Casdatifan (USAN/INN)CASDATIFAN [USAN]A1I0Horb2646020SCHEMBL23846781SCHEMBL30054706GTPL13981
Data from PubChem (NCBI)
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