General Information of the Compound
| Compound ID |
CP0689610
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| Compound Name |
(E)-N-(Chroman-7-methyl)-N-methyl-3-(3-fluoro-4-trifluoromethylphenyl)prop2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C21H22ClF4NO
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| Molecular Weight |
415.858
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| Canonical SMILES |
CN(C/C=C/c1ccc(C(F)(F)F)c(F)c1)Cc1ccc2c(c1)OCCC2.Cl
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| InChI |
InChI=1S/C21H21F4NO.ClH/c1-26(14-16-6-8-17-5-3-11-27-20(17)13-16)10-2-4-15-7-9-18(19(22)12-15)21(23,24)25;/h2,4,6-9,12-13H,3,5,10-11,14H2,1H3;1H/b4-2+;
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| InChIKey |
ACMULMQGEZYJKN-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