Elinogrel
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
Molecular Identity
Elinogrel
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
PubChem CID: 16066663
2D Structure
Properties
C20H15ClFN5O5S2
Molecular Formula
523.90
Molecular Weight
g/mol
523.0187
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
173
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
914
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Elinogrel936500-94-6PRT 060128PRT-0601285-chloro-N-((4-(6-fluoro-7-(methylamino)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl)carbamoyl)thiophene-2-sulfonamidePRT060128915Y8E749JDTXSID509182622-THIOPHENESULFONAMIDE, 5-CHLORO-N-(((4-(6-FLUORO-1,4-DIHYDRO-7-(METHYLAMINO)-2,4-DIOXO-3(2H)-QUINAZOLINYL)PHENYL)AMINO)CARBONYL)-elinogrelumRefChem:590713DTXCID5013472163-((5-chlorothiophen-2-yl)sulfonyl)-1-(4-(6-fluoro-7-(methylamino)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)phenyl)urea5-CHLORO-N-[[[4-[6-FLUORO-1,4-DIHYDRO-7-(METHYLAMINO)-2,4-DIOXO-3(2H)-QUINAZOLINYL]PHENYL]AMINO]CARBONYL]-2-THIOPHENESULFONAMIDE1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
Data from PubChem (NCBI)
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