General Information of the Compound
| Compound ID |
CP0951418
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| Compound Name |
1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxyethanone trifluoroacetic acid
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| Structure |
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| Formula |
C26H30F7N5O5
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| Molecular Weight |
625.542
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| Canonical SMILES |
COCC(=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/C24H29F4N5O3.C2HF3O2/c1-14-9-18-19(12-33(14)22(34)13-35-2)31-24(23(30-18)29-11-21(27)28)32-7-5-16(6-8-32)36-20-4-3-15(25)10-17(20)26;3-2(4,5)1(6)7/h3-4,10,14,16,21H,5-9,11-13H2,1-2H3,(H,29,30);(H,6,7)
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| InChIKey |
WNXZIDFIQPATFC-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