General Information of the Compound
| Compound ID |
CP0559796
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| Compound Name |
2-amino-5-[4-[(3-aminobenzoyl)amino]phenoxy]-N-methylbenzamide
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(N)c3)cc2)ccc1N
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| InChI |
InChI=1S/C21H20N4O3/c1-24-21(27)18-12-17(9-10-19(18)23)28-16-7-5-15(6-8-16)25-20(26)13-3-2-4-14(22)11-13/h2-12H,22-23H2,1H3,(H,24,27)(H,25,26)
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| InChIKey |
XYHRQBMNCBKBPI-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