General Information of the Compound
| Compound ID |
CP0461569
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| Compound Name |
(E)-N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(2-morpholin-4-yl-6-trifluoromethyl-pyridin-3-yl)-acrylamide
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| Structure |
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| Formula |
C21H20F3N3O4
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| Molecular Weight |
435.402
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| Canonical SMILES |
FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)c(n1)N1CCOCC1
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| InChI |
InChI=1S/C21H20F3N3O4/c22-21(23,24)18-5-1-14(20(26-18)27-7-9-29-10-8-27)2-6-19(28)25-15-3-4-16-17(13-15)31-12-11-30-16/h1-6,13H,7-12H2,(H,25,28)/b6-2+
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| InChIKey |
CCCAZXHLWPASRC-QHHAFSJGSA-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