General Information of the Compound
| Compound ID |
CP0962497
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| Compound Name |
(E)-N-(4-(5-(3,4-diacetylphenyl)-3-oxopent-4-en-1-yl)phenyl)benzamide
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| Structure |
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| Formula |
C28H25NO6
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| Molecular Weight |
471.509
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| Canonical SMILES |
CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)c3ccccc3)cc2)cc1OC(C)=O
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| InChI |
InChI=1S/C28H25NO6/c1-19(30)34-26-17-12-22(18-27(26)35-20(2)31)11-16-25(32)15-10-21-8-13-24(14-9-21)29-28(33)23-6-4-3-5-7-23/h3-9,11-14,16-18H,10,15H2,1-2H3,(H,29,33)/b16-11+
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| InChIKey |
INTISHHDSOJMMN-LFIBNONCSA-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