Deucrictibant
N-[(1S)-1-[3-chloro-5-fluoro-2-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]-1-deuterioethyl]-2-(difluoromethoxy)acetamide
Molecular Identity
Deucrictibant
N-[(1S)-1-[3-chloro-5-fluoro-2-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]-1-deuterioethyl]-2-(difluoromethoxy)acetamide
PubChem CID: 154623230
2D Structure
Properties
C25H23ClF3N5O3
Molecular Formula
534.90
Molecular Weight
g/mol
534.1504
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
91.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
758
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C2C=CC=C(C2=N1)OCC3=C(C=C(C=C3Cl)F)C(C)NC(=O)COC(F)F)C4=NC=NN4CIsomeric SMILES
SMILES: [2H][C@](C)(C1=C(C(=CC(=C1)F)Cl)COC2=CC=CC3=C(C=C(N=C32)C)C4=NC=NN4C)NC(=O)COC(F)FSynonyms(20)
DeucrictibantDeucrictibant [INN]2340111-58-0PHA-02212169GCA2KX22PHA-121PHVS-719PHA022121N-[(1S)-1-[3-chloro-5-fluoro-2-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]-1-deuterioethyl]-2-(difluoromethoxy)acetamide(S)-N-(1-Deutero-1-(3-chloro-5-fluoro-2-((2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)quinolin-8-yloxy)methyl)phenyl)ethyl)-2-(difluoromethoxy)acetamideAcetamide, N-((1S)-1-(3-chloro-5-fluoro-2-(((2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)-8-quinolinyl)oxy)methyl)phenyl)ethyl-1-d)-2-(difluoromethoxy)-Acetamide, N-[(1S)-1-[3-chloro-5-fluoro-2-[[[2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)-8-quinolinyl]oxy]methyl]phenyl]ethyl-1-d]-2-(difluoromethoxy)-N-((1S)-1-(3-chloro-5-fluoro-2-(((2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)quinolin-8-yl)oxy)methyl)phenyl)(1-2H)ethyl)-2-(difluoromethoxy)acetamideN-((1S)-1-(3-chloro-5-fluoro-2-((2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl)oxymethyl)phenyl)-1-deuterioethyl)-2-(difluoromethoxy)acetamideN-[(1S)-1-[3-chloro-5-fluoro-2-({[2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)quinolin-8-yl]oxy}methyl)phenyl](1-2H)ethyl]-2-(difluoromethoxy)acetamide
Data from PubChem (NCBI)
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