General Information of the Compound
| Compound ID |
CP0557572
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| Compound Name |
6-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(isopropylamino)-3-(methoxy methyl)pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C21H25F2N5O2
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| Molecular Weight |
417.46
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| Canonical SMILES |
COCc1nc(NC(C)C)c(nc1C#N)N1CCC(CC1)Oc1ccc(F)cc1F
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| InChI |
InChI=1S/C21H25F2N5O2/c1-13(2)25-20-21(27-17(11-24)18(26-20)12-29-3)28-8-6-15(7-9-28)30-19-5-4-14(22)10-16(19)23/h4-5,10,13,15H,6-9,12H2,1-3H3,(H,25,26)
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| InChIKey |
RJZUBEZGAKVYNC-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