General Information of the Compound
| Compound ID |
CP0959223
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| Compound Name |
(1-(2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)(2-fluoro-4-methoxyphenyl)methanone 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C25H25F4N5O4
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| Molecular Weight |
535.498
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| Canonical SMILES |
COc1ccc(C(=O)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H24FN5O2.C2HF3O2/c1-31-16-4-5-17(18(24)12-16)21(30)14-7-10-29(11-8-14)23-22(26-15-2-3-15)27-19-6-9-25-13-20(19)28-23;3-2(4,5)1(6)7/h4-6,9,12-15H,2-3,7-8,10-11H2,1H3,(H,26,27);(H,6,7)
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| InChIKey |
QPVVPOZPDPOZRS-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