General Information of the Compound
| Compound ID |
CP0938711
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| Compound Name |
1-((1-(2-(cyclopropylamino)-5-methylpyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)methyl)-4-fluoropyridin-2(1H)-one 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C24H26F4N6O3
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| Molecular Weight |
522.503
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| Canonical SMILES |
Cc1nccc2nc(NC3CC3)c(N3CCC(Cn4ccc(F)cc4=O)CC3)nc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H25FN6O.C2HF3O2/c1-14-20-18(4-8-24-14)26-21(25-17-2-3-17)22(27-20)28-9-5-15(6-10-28)13-29-11-7-16(23)12-19(29)30;3-2(4,5)1(6)7/h4,7-8,11-12,15,17H,2-3,5-6,9-10,13H2,1H3,(H,25,26);(H,6,7)
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| InChIKey |
NKHFKCSGVIWMPW-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