General Information of the Compound
| Compound ID |
CP0431001
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| Compound Name |
(E)-N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(6''-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2'']bipyridinyl-3''-yl)-acrylamide
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| Structure |
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| Formula |
C22H22F3N3O3
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| Molecular Weight |
433.43
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| Canonical SMILES |
FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)c(n1)N1CCCCC1
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| InChI |
InChI=1S/C22H22F3N3O3/c23-22(24,25)19-8-4-15(21(27-19)28-10-2-1-3-11-28)5-9-20(29)26-16-6-7-17-18(14-16)31-13-12-30-17/h4-9,14H,1-3,10-13H2,(H,26,29)/b9-5+
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| InChIKey |
OVBWUPMHCUDEHM-WEVVVXLNSA-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