General Information of the Compound
| Compound ID |
CP0688798
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| Compound Name |
(2E,4E,6E)-N-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-N-methyl-7-(4-(trifluoromethyl)phenyl)hepta-2,4,6-trien-1-amine Hydrochloride
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| Structure |
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| Formula |
C24H25ClF3NO2
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| Molecular Weight |
451.916
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| Canonical SMILES |
CN(C/C=C/C=C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2.Cl
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| InChI |
InChI=1S/C24H24F3NO2.ClH/c1-28(18-20-10-13-22-23(17-20)30-16-15-29-22)14-6-4-2-3-5-7-19-8-11-21(12-9-19)24(25,26)27;/h2-13,17H,14-16,18H2,1H3;1H/b3-2+,6-4+,7-5+;
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| InChIKey |
OBAUQDBJBFPVHQ-FPBMJQGFSA-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