General Information of the Compound
| Compound ID |
CP0523436
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| Compound Name |
(E)-3-[4-(1-adamantyl)phenoxy]-N-(3-methylsulfonylphenyl)prop-2-enamide
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| Structure |
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| Formula |
C26H29NO4S
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| Molecular Weight |
451.588
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| Canonical SMILES |
CS(=O)(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C26H29NO4S/c1-32(29,30)24-4-2-3-22(14-24)27-25(28)9-10-31-23-7-5-21(6-8-23)26-15-18-11-19(16-26)13-20(12-18)17-26/h2-10,14,18-20H,11-13,15-17H2,1H3,(H,27,28)/b10-9+
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| InChIKey |
JSJBCCNMJRDGEU-MDZDMXLPSA-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