General Information of the Compound
| Compound ID |
CP0434924
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| Compound Name |
3-nitro-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 |
C20H13N7O2S
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| Molecular Weight |
415.438
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
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| InChI |
InChI=1S/C20H13N7O2S/c21-12-13-1-2-17(18(11-13)27(28)29)25-8-4-14-16(3-6-22-19(14)25)26-9-5-15(24-26)20-23-7-10-30-20/h1-3,5-7,9-11H,4,8H2
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| InChIKey |
OFOGWEHXEMQAQU-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