General Information of the Compound
| Compound ID |
CP0842644
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| Compound Name |
(E)-N-(Chroman-7-methyl)-N-methyl-3-(4-bromorphenyl)prop-2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C20H23BrClNO
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| Molecular Weight |
408.767
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| Canonical SMILES |
CN(C/C=C/c1ccc(Br)cc1)Cc1ccc2c(c1)OCCC2.Cl
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| InChI |
InChI=1S/C20H22BrNO.ClH/c1-22(12-2-4-16-7-10-19(21)11-8-16)15-17-6-9-18-5-3-13-23-20(18)14-17;/h2,4,6-11,14H,3,5,12-13,15H2,1H3;1H/b4-2+;
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| InChIKey |
XHONWISZXFLCRH-VEELZWTKSA-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