General Information of the Compound
| Compound ID |
CP0551198
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| Compound Name |
1-[2-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)pyridin-4-yl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
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| Formula |
C22H24F6N8O2
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| Molecular Weight |
546.476
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| Canonical SMILES |
CN(C)CCOc1cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)cc(n1)C(F)(F)F
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| InChI |
InChI=1S/C22H24F6N8O2/c1-12-7-14(32-33-18(12)15-11-36(4)34-19(15)22(26,27)28)10-29-20(37)30-13-8-16(21(23,24)25)31-17(9-13)38-6-5-35(2)3/h7-9,11H,5-6,10H2,1-4H3,(H2,29,30,31,37)
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| InChIKey |
FOUSOODHCHKAHI-UHFFFAOYSA-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