General Information of the Compound
| Compound ID |
CP0542590
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| Compound Name |
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
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| Structure |
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| Formula |
C23H27F2N5O2
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| Molecular Weight |
443.498
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| Canonical SMILES |
CC(C)Nc1nc2CN(C=Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O
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| InChI |
InChI=1S/C23H27F2N5O2/c1-14(2)26-22-23(28-19-8-11-30(15(3)31)13-20(19)27-22)29-9-6-17(7-10-29)32-21-5-4-16(24)12-18(21)25/h4-5,8,11-12,14,17H,6-7,9-10,13H2,1-3H3,(H,26,27)
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| InChIKey |
FWUPOBWZOCAFFY-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