General Information of the Compound
| Compound ID |
CP0849532
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| Compound Name |
3-(4-(3,5-difluorobenzoyl)piperidin-1-yl)-2-(isopropylamino)pyrido[3,4-b]pyrazine-7-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H23F5N6O3
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| Molecular Weight |
550.488
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| Canonical SMILES |
CC(C)Nc1nc2cc(C#N)ncc2nc1N1CCC(C(=O)c2cc(F)cc(F)c2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H22F2N6O.C2HF3O2/c1-13(2)28-22-23(30-20-12-27-18(11-26)10-19(20)29-22)31-5-3-14(4-6-31)21(32)15-7-16(24)9-17(25)8-15;3-2(4,5)1(6)7/h7-10,12-14H,3-6H2,1-2H3,(H,28,29);(H,6,7)
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| InChIKey |
ISBHPIKWXJCLJE-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