General Information of the Compound
| Compound ID |
CP0439683
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| Compound Name |
3-chloro-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 |
C20H14ClN7
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| Molecular Weight |
387.834
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| Canonical SMILES |
Clc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
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| InChI |
InChI=1S/C20H14ClN7/c21-16-12-14(13-22)2-3-18(16)26-10-5-15-17(4-8-23-20(15)26)27-11-6-19(25-27)28-9-1-7-24-28/h1-4,6-9,11-12H,5,10H2
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| InChIKey |
HRFHGLUUYXBHLN-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