General Information of the Compound
| Compound ID |
CP0885053
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| Compound Name |
N-(4-(5-(3,4-diacetylphenyl)-3-oxopentyl)phenyl)-4-nitrobenzamide
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| Structure |
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| Formula |
C28H26N2O8
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| Molecular Weight |
518.522
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| Canonical SMILES |
CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC(C)=O
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| InChI |
InChI=1S/C28H26N2O8/c1-18(31)37-26-16-7-21(17-27(26)38-19(2)32)6-15-25(33)14-5-20-3-10-23(11-4-20)29-28(34)22-8-12-24(13-9-22)30(35)36/h3-4,7-13,16-17H,5-6,14-15H2,1-2H3,(H,29,34)
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| InChIKey |
AKZHWMUAPBNGGX-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