Cintirorgon
3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid
Molecular Identity
Cintirorgon
3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid
PubChem CID: 124126348
2D Structure
Properties
C27H23F6NO6S
Molecular Formula
603.50
Molecular Weight
g/mol
603.1150
Exact Mass
Da
6.8
XLogP
Above Lipinski threshold
102
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
13
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Cintirorgon2055536-64-4LYC-55716LPN433P0EALYC557163-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid2H-1,4-Benzoxazine-2-propanoic acid, 6-(3-(difluoromethoxy)-5-fluorophenyl)-3,4-dihydro-alpha,alpha-dimethyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)-, (2S)-cintirorgonum2H-1,4-Benzoxazine-2-propanoic acid, 6-[3-(difluoromethoxy)-5-fluorophenyl]-3,4-dihydro-alpha,alpha-dimethyl-4-[[3-(trifluoromethyl)phenyl]sulfonyl]-, (2S)-3-((2S)-6-(3-(difluoromethoxy)-5-fluorophenyl)-4-(3-(trifluoromethyl)phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-2,2-dimethylpropanoic acidRefChem:126299RORg Agonist LYC-55716Cintirorgon [INN]CHEMBL4472508MFCD31544352
Data from PubChem (NCBI)
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