General Information of the Compound
| Compound ID |
CP0497921
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| Compound Name |
3-ethyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
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| Structure |
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| Formula |
C22H18N6S
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| Molecular Weight |
398.495
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| Canonical SMILES |
CCc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
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| InChI |
InChI=1S/C22H18N6S/c1-2-16-13-15(14-23)3-4-19(16)27-10-6-17-20(5-8-24-21(17)27)28-11-7-18(26-28)22-25-9-12-29-22/h3-5,7-9,11-13H,2,6,10H2,1H3
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| InChIKey |
SLDLUTCLYXWZCR-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