General Information of the Compound
| Compound ID |
CP0659761
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| Compound Name |
{4-[Bis-(4-dimethylamino-phenyl)-methylene]-cyclohexa-2,5-dienylidene}-dimethyl-ammonium chloride
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| Synonyms |
548-62-9
Adergon
Aniline Violet
Atmonil
Avermin
Axuris
Badil
Basic Violet BN
Basic violet 3
Bismuth Violet
Brilliant Violet 5B
Calcozine Violet 6BN
Calcozine Violet C
Crystal Violet O
Crystal violet
Gentersal
Gentian violet
Gentiaverm
Genticid
Gentioletten
Hecto Violet R
Hexamethyl Violet
Hexamethylpararosaniline chloride
Meroxyl-Wander
Meroxylan-Wander
Methyl Violet 10B
Methylrosaniline chloride
Oxiuran
Oxycolor
Oxyozyl
Paper Blue R
Pyoktanin
Vermicid
Vianin
Viocid
Violet CP
gentian violet
methylrosanilinium chloride
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| Structure |
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| Formula |
C25H30ClN3
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| Molecular Weight |
407.989
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| Canonical SMILES |
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-]
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| InChI |
InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
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| InChIKey |
ZXJXZNDDNMQXFV-UHFFFAOYSA-M
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| CAS |
7077-31-8
23355-47-7
548-62-9
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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
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4
Protein ID: PT06109, Geminin
Clinical Information about the Compound