General Information of the Compound
| Compound ID |
CP0945437
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| Compound Name |
N-(4-(5-(3,4-diacetylphenyl)-3-oxopentyl)phenyl)-4-methylbenzamide
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| Structure |
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| Formula |
C29H29NO6
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| Molecular Weight |
487.552
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| Canonical SMILES |
CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC(C)=O
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| InChI |
InChI=1S/C29H29NO6/c1-19-4-11-24(12-5-19)29(34)30-25-13-6-22(7-14-25)8-15-26(33)16-9-23-10-17-27(35-20(2)31)28(18-23)36-21(3)32/h4-7,10-14,17-18H,8-9,15-16H2,1-3H3,(H,30,34)
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| InChIKey |
QADPSTAGUQLJHG-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