General Information of the Compound
| Compound ID |
CP0439677
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| Compound Name |
2-[1-[1-[4-nitro-2-(trifluoromethyl)phenyl]-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 |
C20H13F3N6O2S
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| Molecular Weight |
458.425
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| Canonical SMILES |
[O-][N+](=O)c1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H13F3N6O2S/c21-20(22,23)14-11-12(29(30)31)1-2-17(14)27-8-4-13-16(3-6-24-18(13)27)28-9-5-15(26-28)19-25-7-10-32-19/h1-3,5-7,9-11H,4,8H2
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| InChIKey |
ZFEMAMXZWPKCTM-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