General Information of the Compound
| Compound ID |
CP0957839
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| Compound Name |
1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[4,3-b]pyrazin-6(5H)-yl)ethanone trifluoroacetic acid
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| Structure |
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| Formula |
C25H28F7N5O4
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| Molecular Weight |
595.516
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| Canonical SMILES |
CC(=O)N1Cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CC1C.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H27F4N5O2.C2HF3O2/c1-13-9-18-19(12-32(13)14(2)33)30-23(22(29-18)28-11-21(26)27)31-7-5-16(6-8-31)34-20-4-3-15(24)10-17(20)25;3-2(4,5)1(6)7/h3-4,10,13,16,21H,5-9,11-12H2,1-2H3,(H,28,29);(H,6,7)
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| InChIKey |
DCOBERIFSIXXRS-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