General Information of the Compound
| Compound ID |
CP0731167
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| Compound Name |
(2E,4E)-N-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-N-methyl-5-(4-(trifluoromethyl)phenyl)penta-2,4-dien-1-amine Hydrochloride
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| Structure |
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| Formula |
C22H23ClF3NO2
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| Molecular Weight |
425.878
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| Canonical SMILES |
CN(C/C=C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2.Cl
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| InChI |
InChI=1S/C22H22F3NO2.ClH/c1-26(16-18-8-11-20-21(15-18)28-14-13-27-20)12-4-2-3-5-17-6-9-19(10-7-17)22(23,24)25;/h2-11,15H,12-14,16H2,1H3;1H/b4-2+,5-3+;
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| InChIKey |
LPROHUCXSLIBNO-BJMABRHOSA-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