BILN-2061
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BILN-2061
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CAS No:
300832-84-2
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Formula:
C40H50N6O8S
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Chemical Name:
BILN-2061
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Synonyms:
BILN-2061;BILN 2061ZW;(2R,6S,12Z,13aS,14aR,16aS)-6-[[(Cyclopentyloxy)carbonyl]amino]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-[[7-methoxy-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a;Ciluprevir (BILN 2061,BILN 2061ZW);Ciluprevir (BILN 2061);(2R,6S,12Z,13aS,14aR,16aS)-6-[[(Cyclopentyloxy)carbonyl]amino]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-[[7-methoxy-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid;Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid, 6-[[(cyclopentyloxy)carbonyl]amino]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-[[7-methoxy-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-5,16-dioxo-, (2R,6S,12Z,13aS,14aR,16aS)-
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CAS No:
Computed Properties
Molecular Weight:774.9
XLogP3:6.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:774.34108375
Monoisotopic Mass:774.34108375
Topological Polar Surface Area:210
Heavy Atom Count:55
Complexity:1420
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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