General Information of the Compound
| Compound ID |
CP0296888
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| Compound Name |
2-[(5Z)-2,4-diketo-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide
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| Structure |
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| Formula |
C21H18N2O4S
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| Molecular Weight |
394.452
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| Canonical SMILES |
C\C(\C=C1/SC(=O)N(CC(=O)Nc2ccc(O)cc2)C1=O)=C/c1ccccc1
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| InChI |
InChI=1S/C21H18N2O4S/c1-14(11-15-5-3-2-4-6-15)12-18-20(26)23(21(27)28-18)13-19(25)22-16-7-9-17(24)10-8-16/h2-12,24H,13H2,1H3,(H,22,25)/b14-11+,18-12-
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| InChIKey |
AZOLLTGLXNDVQN-UJUKKVGJSA-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