General Information of the Compound
| Compound ID |
CP0922187
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| Compound Name |
N-(4-(5-(3,4-dihydroxyphenyl)-3-oxopentyl)phenyl)-4-nitrobenzamide
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| Structure |
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| Formula |
C24H22N2O6
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| Molecular Weight |
434.448
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| Canonical SMILES |
O=C(CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)CCc1ccc(O)c(O)c1
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| InChI |
InChI=1S/C24H22N2O6/c27-21(13-4-17-5-14-22(28)23(29)15-17)12-3-16-1-8-19(9-2-16)25-24(30)18-6-10-20(11-7-18)26(31)32/h1-2,5-11,14-15,28-29H,3-4,12-13H2,(H,25,30)
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| InChIKey |
SNKTVZYLNSRUQG-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