General Information of the Compound
| Compound ID |
CP0423676
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| Compound Name |
4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzene-1,3-dicarbonitrile
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| Structure |
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| Formula |
C21H13N7S
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| Molecular Weight |
395.451
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| Canonical SMILES |
N#Cc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C#N
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| InChI |
InChI=1S/C21H13N7S/c22-12-14-1-2-18(15(11-14)13-23)27-8-4-16-19(3-6-24-20(16)27)28-9-5-17(26-28)21-25-7-10-29-21/h1-3,5-7,9-11H,4,8H2
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| InChIKey |
KECMDSSMPZDKKN-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