General Information of the Compound
| Compound ID |
CP0645896
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| Compound Name |
Acenocoumarol
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| Synonyms |
2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-4h-chromen-4-one
2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-4-one
3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin
3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin
3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin
3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin
3-(alpha-Acetonyl-para-nitrobenzyl)-4-hydroxy-coumarin
3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin
4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one;4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
AB-014/25000129
Acenocoumarin
Acenocoumarol
Acenocoumarol (INN)
Acenocoumarol Alliance Brand
Acenocoumarol Ciba-Geigy Brand
Acenocoumarol Novartis Brand
Acenocoumarol [INN]
Acenocoumarolum
Acenocoumarolum [INN-Latin]
Acenocumarol
Acenocumarolo
Acenocumarolo [DCIT]
Acenocumarolum
Acenokumarin
Acenokumarin [Czech]
Alliance Brand of Acenocoumarol
Ascumar
Ciba Geigy Brand of Acenocoumarol
Ciba-Geigy Brand of Acenocoumarol
G 23350
G-23,350
G-23350
Mini Sintrom
Mini-sintrom
Mini-sintrom (TN)
Minisintrom
Neositron;Nicoumalone
Nicumalon
Nitrophenylacetylethyl-4-hydroxycoumarine
Nitrovarfarian
Nitrowarfarin
Novartis Brand of Acenocoumarol
Sincoumar
Sinkumar
Sinthrom
Sinthrome
Sinthrome (TN)
Sintrom
Sintrom (TN)
Sintroma
Syncoumar
Syncumar
Synthrom
Syntrom
Zotil
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| Structure |
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| Formula |
C19H15NO6
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| Molecular Weight |
353.33
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| Canonical SMILES |
CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O
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| InChI |
InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
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| InChIKey |
VABCILAOYCMVPS-UHFFFAOYSA-N
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| CAS |
152-72-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound