General Information of the Compound
| Compound ID |
CP0953231
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| Compound Name |
(E)-N-(4-(5-(3,4-diacetylphenyl)-3-oxopent-4-en-1-yl)phenyl)-4-methoxybenzamide
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| Structure |
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| Formula |
C29H27NO7
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| Molecular Weight |
501.535
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| Canonical SMILES |
COc1ccc(C(=O)Nc2ccc(CCC(=O)/C=C/c3ccc(OC(C)=O)c(OC(C)=O)c3)cc2)cc1
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| InChI |
InChI=1S/C29H27NO7/c1-19(31)36-27-17-8-22(18-28(27)37-20(2)32)7-14-25(33)13-6-21-4-11-24(12-5-21)30-29(34)23-9-15-26(35-3)16-10-23/h4-5,7-12,14-18H,6,13H2,1-3H3,(H,30,34)/b14-7+
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| InChIKey |
WQJAPLHPVHGIDT-VGOFMYFVSA-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