General Information of the Compound
| Compound ID |
CP0688715
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| Compound Name |
(E)-N-(1,4-Benzodioxine-7-methyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C20H24ClNO2
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| Molecular Weight |
345.87
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| Canonical SMILES |
Cc1ccc(/C=C/CN(C)Cc2ccc3c(c2)OCCO3)cc1.Cl
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| InChI |
InChI=1S/C20H23NO2.ClH/c1-16-5-7-17(8-6-16)4-3-11-21(2)15-18-9-10-19-20(14-18)23-13-12-22-19;/h3-10,14H,11-13,15H2,1-2H3;1H/b4-3+;
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| InChIKey |
RNVKHZHUJQUGIB-BJILWQEISA-N
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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