Bms-791826
N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide
Molecular Identity
Bms-791826
N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide
PubChem CID: 53359074
2D Structure
Properties
C28H26FN5O3S
Molecular Formula
531.60
Molecular Weight
g/mol
531.1740
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
864
Complexity
SMILES
Canonical SMILES
SMILES: CCN(C)C(=O)C1=C(C=C(C=C1)C2=NC3=C(C=C2)C(C4=CC=CC=C4O3)C(C)(C)C(=O)NC5=NN=CS5)FIsomeric SMILES
SMILES: CCN(C)C(=O)C1=C(C=C(C=C1)C2=NC3=C(C=C2)[C@H](C4=CC=CC=C4O3)C(C)(C)C(=O)NC5=NN=CS5)FSynonyms(13)
BMS-79182660BN6CDL0K1008116-73-15H-(1)Benzopyrano(2,3-b)pyridine-5-acetamide, 2-(4-((ethylmethylamino)carbonyl)-3-fluorophenyl)-alpha,alpha-dimethyl-N-1,3,4-thiadiazol-2-yl-, (5S)-BMS791826BMS 791826RefChem:120743N-ethyl-2-fluoro-N-methyl-4-((5S)-5-(1-methyl-1-((1,3,4-thiadiazol-2-yl)carbamoyl)ethyl)-5H-chromeno(2,3-b)pyridin-2-yl)benzamideUNII-60BN6CDL0KCHEMBL4296682SCHEMBL12206240DB150235H-(1)BENZOPYRANO(2,3-B)PYRIDINE-5-ACETAMIDE, 2-(4-((ETHYLMETHYLAMINO)CARBONYL)-3-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-N-1,3,4-THIADIAZOL-2-YL-, (5S)-
Data from PubChem (NCBI)
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