General Information of the Compound
| Compound ID |
CP0423798
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| Compound Name |
3-methyl-4-[4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
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| Structure |
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| Formula |
C21H17N7
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| Molecular Weight |
367.416
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| Canonical SMILES |
Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
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| InChI |
InChI=1S/C21H17N7/c1-15-13-16(14-22)3-4-18(15)26-11-6-17-19(5-9-23-21(17)26)27-12-7-20(25-27)28-10-2-8-24-28/h2-5,7-10,12-13H,6,11H2,1H3
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| InChIKey |
XEQFXBXYLSPWAL-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