General Information of the Compound
| Compound ID |
CP0962314
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| Compound Name |
cyclopropyl(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)methanone trifluoroacetic acid
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| Structure |
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| Formula |
C27H30F7N5O4
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| Molecular Weight |
621.554
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| Canonical SMILES |
CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C(=O)C1CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H29F4N5O2.C2HF3O2/c1-14-10-19-20(13-34(14)25(35)15-2-3-15)32-24(23(31-19)30-12-22(28)29)33-8-6-17(7-9-33)36-21-5-4-16(26)11-18(21)27;3-2(4,5)1(6)7/h4-5,11,14-15,17,22H,2-3,6-10,12-13H2,1H3,(H,30,31);(H,6,7)
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| InChIKey |
LJPFELXNQDCDEY-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