CTK5F4585 structure

CTK5F4585

2-(5-chloro-2-methoxyphenyl)-N-[4-[[4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-1,3-dioxoisoindole-5-carboxamide

Also Known As: EINECS 286-360-1|2-(5-Chloro-2-methoxyphenyl)-N-(4-(((4-((9,10-dihydro-9,10-dioxo-1-anthryl)azo)-3-hydroxy-2-naphthyl)carbonyl)amino)phenyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide|2-(5-CHLORO-2-METHOXYPHENYL)-N-(4-{4-[2-(9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)DIAZEN-1-YL]-3-HYDROXYNAPHTHALENE-2-AMIDO}PHENYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXAMIDE|2-(5-CHLORO-2-METHOXYPHENYL)-N-[4-[[[4-[(9,10-DIHYDRO-9,10-DIOXO-1-ANTHRYL)AZO]-3-HYDROXY-2-NAPHTHYL]CARBONYL]AMINO]PHENYL]-2,3-DIHYDRO-1,3-DIOXO-1H-ISOINDOLE-5-CARBOXAMIDE|2-(5-Chloro-2-methoxyphenyl)-N-[4-[[[4-[[(9,10-dihydro-9,10-dioxoanthracen)-1-yl]azo]3-hydroxy-2-naphthalenyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide|2-(5-Chloro-2-methoxyphenyl)-N-[4-[[[4-[2-(9,10-dihydro-9,10-dioxo-1-anthracenyl)diazenyl]-3-hydroxy-2-naphthalenyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide

CAS: 85223-07-0
Molecular Formula C47H28ClN5O8
Molecular Weight 825.16266 g/mol
LogP 9.7034
Topological Polar Surface Area 183.9 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
Rotatable Bonds 8
Exact Mass 825.16266
Monoisotopic Mass 825.16266
Heavy Atoms 61
Complexity 3126.2446

Chemical Identifiers

CAS Number 85223-07-0
SMILES COC1=C(C=C(C=C1)Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=CC=CC8=C7C(=O)C9=CC=CC=C9C8=O

Product Overview

CTK5F4585 (CAS 85223-07-0), with molecular formula C47H28ClN5O8 and molecular weight 825.16266 g/mol. IUPAC: 2-(5-chloro-2-methoxyphenyl)-N-[4-[[4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-1,3-dioxoisoindole-5-carboxamide.

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