General Information of the Compound
| Compound ID |
CP0865005
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| Compound Name |
N-(pyridin-3-yl)-2-(4-(2,4,5-trifluorobenzyl)piperazin-1-yl)pyrido[3,4-b]pyrazin-3-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H21F6N7O2
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| Molecular Weight |
565.478
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| Canonical SMILES |
Fc1cc(F)c(CN2CCN(c3nc4ccncc4nc3Nc3cccnc3)CC2)cc1F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N7.C2HF3O2/c24-17-11-19(26)18(25)10-15(17)14-32-6-8-33(9-7-32)23-22(29-16-2-1-4-27-12-16)30-21-13-28-5-3-20(21)31-23;3-2(4,5)1(6)7/h1-5,10-13H,6-9,14H2,(H,29,30);(H,6,7)
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| InChIKey |
SYDKIDKHGWVTBL-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