General Information of the Compound
| Compound ID |
CP0557571
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| Compound Name |
6-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(isopropylamino)-3-morpholinopyrazine-2-carbonitrile
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| Structure |
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| Formula |
C23H28F2N6O2
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| Molecular Weight |
458.513
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| Canonical SMILES |
CC(C)Nc1nc(N2CCOCC2)c(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C#N
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| InChI |
InChI=1S/C23H28F2N6O2/c1-15(2)27-21-23(28-19(14-26)22(29-21)31-9-11-32-12-10-31)30-7-5-17(6-8-30)33-20-4-3-16(24)13-18(20)25/h3-4,13,15,17H,5-12H2,1-2H3,(H,27,29)
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| InChIKey |
UUPPUNREICFVIO-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