General Information of the Compound
| Compound ID |
CP0509140
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| Compound Name |
3-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoyl]amino]benzoic acid
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| Structure |
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| Formula |
C23H18N2O6
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| Molecular Weight |
418.405
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCCOc3c2)c1
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| InChI |
InChI=1S/C23H18N2O6/c26-21(14-8-9-19-20(13-14)31-11-10-30-19)25-18-7-2-1-6-17(18)22(27)24-16-5-3-4-15(12-16)23(28)29/h1-9,12-13H,10-11H2,(H,24,27)(H,25,26)(H,28,29)
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| InChIKey |
WYZLGIYUCJALHS-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