General Information of the Compound
| Compound ID |
CP0488736
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| Compound Name |
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)pyrido[3,4-b]pyrazine-7-carbonitrile
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| Structure |
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| Formula |
C22H22F2N6O
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| Molecular Weight |
424.455
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| Canonical SMILES |
CC(C)Nc1nc2cc(ncc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C#N
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| InChI |
InChI=1S/C22H22F2N6O/c1-13(2)27-21-22(29-19-12-26-15(11-25)10-18(19)28-21)30-7-5-16(6-8-30)31-20-4-3-14(23)9-17(20)24/h3-4,9-10,12-13,16H,5-8H2,1-2H3,(H,27,28)
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| InChIKey |
VKLXCSIHLXLDPB-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