General Information of the Compound
| Compound ID |
CP0524335
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| Compound Name |
2-[1-[1-(4-chloro-2-nitrophenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
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| Structure |
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| Formula |
C19H13ClN6O2S
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| Molecular Weight |
424.873
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| Canonical SMILES |
[O-][N+](=O)c1cc(Cl)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
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| InChI |
InChI=1S/C19H13ClN6O2S/c20-12-1-2-16(17(11-12)26(27)28)24-8-4-13-15(3-6-21-18(13)24)25-9-5-14(23-25)19-22-7-10-29-19/h1-3,5-7,9-11H,4,8H2
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| InChIKey |
KKBONOZNSPCVJK-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