General Information of the Compound
| Compound ID |
CP0416925
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| Compound Name |
(S)-5-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-6-(isopropylamino)pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C20H22F3N5
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| Molecular Weight |
389.425
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| Canonical SMILES |
CC(C)Nc1nc(cnc1N1CCC(CC1)[C@H](F)c1ccc(F)cc1F)C#N
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| InChI |
InChI=1S/C20H22F3N5/c1-12(2)26-19-20(25-11-15(10-24)27-19)28-7-5-13(6-8-28)18(23)16-4-3-14(21)9-17(16)22/h3-4,9,11-13,18H,5-8H2,1-2H3,(H,26,27)/t18-/m0/s1
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| InChIKey |
QENDOAGTFPJVJN-SFHVURJKSA-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