General Information of the Compound
| Compound ID |
CP0423344
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| Compound Name |
3-ethyl-4-[6-methyl-4-[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
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| Structure |
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| Formula |
C23H23N7O
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| Molecular Weight |
413.485
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| Canonical SMILES |
CCc1cc(ccc1N1CCc2c1nc(C)cc2-n1ccc(n1)N1CCNC1=O)C#N
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| InChI |
InChI=1S/C23H23N7O/c1-3-17-13-16(14-24)4-5-19(17)28-9-6-18-20(12-15(2)26-22(18)28)30-10-7-21(27-30)29-11-8-25-23(29)31/h4-5,7,10,12-13H,3,6,8-9,11H2,1-2H3,(H,25,31)
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| InChIKey |
GDLJPDYHXFKVAI-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