General Information of the Compound
| Compound ID |
CP0500839
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| Compound Name |
3-methyl-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
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| Structure |
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| Formula |
C23H18N6
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| Molecular Weight |
378.439
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| Canonical SMILES |
Cc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
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| InChI |
InChI=1S/C23H18N6/c1-16-14-17(15-24)5-6-21(16)28-12-8-18-22(7-11-26-23(18)28)29-13-9-20(27-29)19-4-2-3-10-25-19/h2-7,9-11,13-14H,8,12H2,1H3
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| InChIKey |
ZSQYYVUYZLNMEG-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