General Information of the Compound
| Compound ID |
CP0956053
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| Compound Name |
2-(4-(2,4-difluorobenzyl)piperazin-1-yl)-N-isopropyl-7-methylpyrido[3,4-b]pyrazin-3-amine 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C24H27F5N6O2
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| Molecular Weight |
526.51
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| Canonical SMILES |
Cc1cc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC(C)C)nc2cn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H26F2N6.C2HF3O2/c1-14(2)26-21-22(28-19-10-15(3)25-12-20(19)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24;3-2(4,5)1(6)7/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27);(H,6,7)
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| InChIKey |
LUZJCGZNKIGQCW-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