General Information of the Compound
| Compound ID |
CP0503090
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| Compound Name |
4-[4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C21H14F3N7
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| Molecular Weight |
421.386
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-n1cccn1)C#N
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| InChI |
InChI=1S/C21H14F3N7/c22-21(23,24)16-12-14(13-25)2-3-18(16)29-10-5-15-17(4-8-26-20(15)29)30-11-6-19(28-30)31-9-1-7-27-31/h1-4,6-9,11-12H,5,10H2
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| InChIKey |
BTOJNFVGNSZZHT-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