General Information of the Compound
| Compound ID |
CP0903302
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| Compound Name |
2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H25F7N6O4
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| Molecular Weight |
606.499
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| Canonical SMILES |
CN(C)C(=O)c1cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H24F4N6O2.C2HF3O2/c1-32(2)23(34)17-10-16-18(11-28-17)31-22(21(30-16)29-12-20(26)27)33-7-5-14(6-8-33)35-19-4-3-13(24)9-15(19)25;3-2(4,5)1(6)7/h3-4,9-11,14,20H,5-8,12H2,1-2H3,(H,29,30);(H,6,7)
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| InChIKey |
QGEGEMWTIHILBH-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