General Information of the Compound
| Compound ID |
CP0338116
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| Compound Name |
3-[5-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
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| Structure |
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| Formula |
C21H16N2O6
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| Molecular Weight |
392.367
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| Canonical SMILES |
OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)C2COc3ccccc3O2)o1
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| InChI |
InChI=1S/C21H16N2O6/c24-20(19-12-27-17-6-1-2-7-18(17)29-19)23-22-11-15-8-9-16(28-15)13-4-3-5-14(10-13)21(25)26/h1-11,19H,12H2,(H,23,24)(H,25,26)/b22-11+
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| InChIKey |
UQXXCSADSBHOBJ-SSDVNMTOSA-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