General Information of the Compound
| Compound ID |
CP0449564
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| Compound Name |
3-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2,6-difluoro-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
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| Structure |
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| Formula |
C24H18F2N6O2
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| Molecular Weight |
460.444
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| Canonical SMILES |
CC(C)(C#N)c1cccc(c1)C(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F
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| InChI |
InChI=1S/C24H18F2N6O2/c1-24(2,12-27)15-5-3-4-13(8-15)22(33)31-18-7-6-17(25)19(20(18)26)23(34)30-16-9-14-10-29-32-21(14)28-11-16/h3-11H,1-2H3,(H,30,34)(H,31,33)(H,28,29,32)
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| InChIKey |
CERMBKOXBCBJBK-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