33994-EP2295055A2
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33994-EP2295055A2
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CAS No:
173046-02-1
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Formula:
C48H56N10O12S6
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Chemical Name:
33994-EP2295055A2
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Synonyms:
thiocoraline;Thiocoraline;173046-02-1;Thicoraline;Thi Coraline;SCHEMBL13852612;DTXSID50333133;BS-1608;3-hydroxy-N-[7-[(3-hydroxyquinoline-2-carbonyl)amino]-2,12,15,25-tetramethyl-11,24-bis(methylsulfanylmethyl)-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-20-yl]quinoline-2-carboxamide;C15727;33994-EP2275420A1;33994-EP2295055A2;33994-EP2295416A2;33994-EP2298748A2;33994-EP2298764A1;33994-EP2298765A1;33994-EP2305642A2;33994-EP2311453A1;N-{2,5,12,15,18,25-hexaaza-11,24-bis(methylthiomethyl)-20-[(3-hydroxy(2-quinolyl))carbonylamino]-2,12,15,25-tetramethyl-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathiabicyclo[12.12.4]triacont-7-yl}(3-hydroxy(2-quinolyl))carboxamide
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CAS No:
Computed Properties
Molecular Weight:1157.4
XLogP3:3.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:8
Exact Mass:1156.24034430
Monoisotopic Mass:1156.24034430
Topological Polar Surface Area:450
Heavy Atom Count:76
Complexity:2000
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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