General Information of the Compound
| Compound ID |
CP0499361
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| Compound Name |
3-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C23H18F3N5O3
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| Molecular Weight |
469.423
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| Canonical SMILES |
COc1n[nH]c2ncc(NC(=O)c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cc12
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| InChI |
InChI=1S/C23H18F3N5O3/c1-12-6-7-13(20(32)28-15-5-3-4-14(9-15)23(24,25)26)8-17(12)21(33)29-16-10-18-19(27-11-16)30-31-22(18)34-2/h3-11H,1-2H3,(H,28,32)(H,29,33)(H,27,30,31)
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| InChIKey |
SLZMPWIWAYZIID-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