General Information of the Compound
| Compound ID |
CP0524336
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| Compound Name |
2-[1-[1-(4-methoxy-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 |
C20H16N6O3S
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| Molecular Weight |
420.454
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| Canonical SMILES |
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H16N6O3S/c1-29-13-2-3-17(18(12-13)26(27)28)24-9-5-14-16(4-7-21-19(14)24)25-10-6-15(23-25)20-22-8-11-30-20/h2-4,6-8,10-12H,5,9H2,1H3
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| InChIKey |
PFJMENUJRILQMQ-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