General Information of the Compound
| Compound ID |
CP0961169
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| Compound Name |
5-chloro-1-((1-(2-(cyclopropylamino)-7-methylpyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)methyl)pyridin-2(1H)-one 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C24H26ClF3N6O3
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| Molecular Weight |
538.958
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| Canonical SMILES |
Cc1cc2nc(NC3CC3)c(N3CCC(Cn4cc(Cl)ccc4=O)CC3)nc2cn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H25ClN6O.C2HF3O2/c1-14-10-18-19(11-24-14)27-22(21(26-18)25-17-3-4-17)28-8-6-15(7-9-28)12-29-13-16(23)2-5-20(29)30;3-2(4,5)1(6)7/h2,5,10-11,13,15,17H,3-4,6-9,12H2,1H3,(H,25,26);(H,6,7)
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| InChIKey |
GQKQVNXSLZAYND-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