General Information of the Compound
| Compound ID |
CP0532081
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| Compound Name |
4-[4-(3-pyridin-2-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 |
C23H15F3N6
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| Molecular Weight |
432.409
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1ccccn1)C#N
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| InChI |
InChI=1S/C23H15F3N6/c24-23(25,26)17-13-15(14-27)4-5-21(17)31-11-7-16-20(6-10-29-22(16)31)32-12-8-19(30-32)18-3-1-2-9-28-18/h1-6,8-10,12-13H,7,11H2
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| InChIKey |
NAYQOFHNPQPBIX-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