Ranosidenib
(1S)-3-[4,6-bis[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol
Molecular Identity
Ranosidenib
(1S)-3-[4,6-bis[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol
PubChem CID: 162445339
2D Structure
Properties
C15H16F9N5O
Molecular Formula
453.31
Molecular Weight
g/mol
453.1211
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
83
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
15
H-Bond Acceptors
609
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=C(C(C(CC2)(F)F)O)F)NC(C)C(F)(F)FIsomeric SMILES
SMILES: C[C@H](C(F)(F)F)NC1=NC(=NC(=N1)C2=C([C@@H](C(CC2)(F)F)O)F)N[C@H](C)C(F)(F)FSynonyms(16)
RanosidenibHMPL-3062301974-60-5ranosidenib [INN]PC64OXS2C2orb2695309orb2695314CHEMBL6068069SCHEMBL24054843BDBM50660162EX-A13162T201237T201242(1S)-3-(4,6-BIS(((1R)-2,2,2-TRIFLUORO-1-METHYLETHYL)AMINO)-1,3,5-TRIAZIN-2-YL)-2,6,6-TRIFLUORO-2-CYCLOHEXEN-1-OL(1S)-3-(4,6-bis{[(2R)-1,1,1-trifluoropropan-2-yl]amino}-1,3,5-triazin-2-yl)-2,6,6-trifluorocyclohex-2-en-1-ol
Data from PubChem (NCBI)
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