General Information of the Compound
| Compound ID |
CP0858657
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| Compound Name |
(E)-N-(4-(5-(3,4-diacetylphenyl)-3-oxopent-4-en-1-yl)phenyl)-2-(thiophen-2-yl)acetamide
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| Structure |
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| Formula |
C27H25NO6S
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| Molecular Weight |
491.565
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| Canonical SMILES |
CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)Cc3cccs3)cc2)cc1OC(C)=O
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| InChI |
InChI=1S/C27H25NO6S/c1-18(29)33-25-14-9-21(16-26(25)34-19(2)30)8-13-23(31)12-7-20-5-10-22(11-6-20)28-27(32)17-24-4-3-15-35-24/h3-6,8-11,13-16H,7,12,17H2,1-2H3,(H,28,32)/b13-8+
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| InChIKey |
KCPQNUBFJBQQLN-MDWZMJQESA-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