General Information of the Compound
| Compound ID |
CP0958665
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| Compound Name |
6-(4-(2,4-difluorobenzyl)piperazin-1-yl)-3-((2-(dimethylamino)ethoxy)methyl)-5-(isopropylamino)pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C24H32F2N6O2
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| Molecular Weight |
474.556
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| Canonical SMILES |
CC(C)Nc1nc(COCCN(C)C)c(C#N)nc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H32F2N6O2/c1-16(2)28-23-24(30-20(14-27)21(29-23)15-33-12-11-31(3)4)32-9-7-18(8-10-32)34-22-6-5-17(25)13-19(22)26/h5-6,13,16,18H,7-12,15H2,1-4H3,(H,28,29)
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| InChIKey |
NOMQPSGUNOBQOM-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