General Information of the Compound
| Compound ID |
CP0507158
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| Compound Name |
3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
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| Structure |
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| Formula |
C21H15F2N5O3
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| Molecular Weight |
423.379
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| Canonical SMILES |
COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NC(=O)c4ccccc4)c3F)cc12
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| InChI |
InChI=1S/C21H15F2N5O3/c1-31-21-13-9-12(10-24-18(13)27-28-21)25-20(30)16-14(22)7-8-15(17(16)23)26-19(29)11-5-3-2-4-6-11/h2-10H,1H3,(H,25,30)(H,26,29)(H,24,27,28)
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| InChIKey |
AEJBPCJCJUOOQQ-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