General Information of the Compound
| Compound ID |
CP0474104
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| Compound Name |
2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
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| Formula |
C21H16F2N6O3
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| Molecular Weight |
438.394
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| Canonical SMILES |
COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(\N=N\c4ccc(OC)cc4)c3F)cc12
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| InChI |
InChI=1S/C21H16F2N6O3/c1-31-13-5-3-11(4-6-13)26-27-16-8-7-15(22)17(18(16)23)20(30)25-12-9-14-19(24-10-12)28-29-21(14)32-2/h3-10H,1-2H3,(H,25,30)(H,24,28,29)/b27-26+
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| InChIKey |
OUUBNLFYTCOBBQ-CYYJNZCTSA-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