General Information of the Compound
| Compound ID |
CP0751236
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| Compound Name |
(E)-N-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-N-methyl-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C20H21ClF3NO2
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| Molecular Weight |
399.84
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| Canonical SMILES |
CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2.Cl
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| InChI |
InChI=1S/C20H20F3NO2.ClH/c1-24(14-16-6-9-18-19(13-16)26-12-11-25-18)10-2-3-15-4-7-17(8-5-15)20(21,22)23;/h2-9,13H,10-12,14H2,1H3;1H/b3-2+;
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| InChIKey |
ALPVMHUDPXPFOA-SQQVDAMQSA-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