General Information of the Compound
| Compound ID |
CP0112104
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| Compound Name |
N-[4-methyl-3-[3-[4-(methylamino)-1,3,5-triazin-2-yl]pyridin-2-yl]oxyphenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
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| Structure |
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| Formula |
C25H20F4N6O3
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| Molecular Weight |
528.466
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| Canonical SMILES |
CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C
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| InChI |
InChI=1S/C25H20F4N6O3/c1-14-8-9-16(34-21(36)15-5-3-6-17(11-15)38-25(28,29)23(26)27)12-19(14)37-22-18(7-4-10-31-22)20-32-13-33-24(30-2)35-20/h3-13,23H,1-2H3,(H,34,36)(H,30,32,33,35)
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| InChIKey |
GHRNBCMJJKMYNR-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
Protein ID: PT00883, Angiopoietin-1 receptor
Protein ID: PT00861, Mitogen-activated protein kinase 14
Protein ID: PT00864, Vascular endothelial growth factor receptor 2