General Information of the Compound
| Compound ID |
CP0507161
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| Compound Name |
3-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-fluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
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| Structure |
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| Formula |
C25H21FN6O3
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| Molecular Weight |
472.48
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| Canonical SMILES |
COc1n[nH]c2ncc(NC(=O)c3cccc(NC(=O)c4cccc(c4)C(C)(C)C#N)c3F)cc12
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| InChI |
InChI=1S/C25H21FN6O3/c1-25(2,13-27)15-7-4-6-14(10-15)22(33)30-19-9-5-8-17(20(19)26)23(34)29-16-11-18-21(28-12-16)31-32-24(18)35-3/h4-12H,1-3H3,(H,29,34)(H,30,33)(H,28,31,32)
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| InChIKey |
PNVUTGFDRCEABB-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