General Information of the Compound
| Compound ID |
CP0498106
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| Compound Name |
4-[4-(4-nitrophenoxy)benzoyl]benzoic acid
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| Structure |
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| Formula |
C20H13NO6
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| Molecular Weight |
363.325
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C20H13NO6/c22-19(13-1-3-15(4-2-13)20(23)24)14-5-9-17(10-6-14)27-18-11-7-16(8-12-18)21(25)26/h1-12H,(H,23,24)
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| InChIKey |
DWCCOSWGQYUFFH-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