General Information of the Compound
| Compound ID |
CP0944233
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| Compound Name |
1-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-5-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone trifluoroacetic acid
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| Structure |
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| Formula |
C26H32F5N5O4
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| Molecular Weight |
573.563
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| Canonical SMILES |
CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1C.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H31F2N5O2.C2HF3O2/c1-14(2)27-23-24(28-20-9-12-31(16(4)32)15(3)22(20)29-23)30-10-7-18(8-11-30)33-21-6-5-17(25)13-19(21)26;3-2(4,5)1(6)7/h5-6,13-15,18H,7-12H2,1-4H3,(H,27,29);(H,6,7)
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| InChIKey |
JJPPIFCYZOHNOF-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