General Information of the Compound
| Compound ID |
CP0165812
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| Compound Name |
2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C22H25NO8
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| Molecular Weight |
431.441
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| Canonical SMILES |
COc1cc(NC(=O)COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc(OC)c1OC
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| InChI |
InChI=1S/C22H25NO8/c1-22(2)10-15(25)20-14(24)8-13(9-16(20)31-22)30-11-19(26)23-12-6-17(27-3)21(29-5)18(7-12)28-4/h6-9,24H,10-11H2,1-5H3,(H,23,26)
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| InChIKey |
UZRJRZXGUYBCGF-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