General Information of the Compound
| Compound ID |
CP0499642
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| Compound Name |
3-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-benzoic acid methyl ester
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| Structure |
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| Formula |
C26H29NO4
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| Molecular Weight |
419.521
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C26H29NO4/c1-30-25(29)20-3-2-4-22(12-20)27-24(28)16-31-23-7-5-21(6-8-23)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-8,12,17-19H,9-11,13-16H2,1H3,(H,27,28)
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| InChIKey |
WOELYKNPIBVROK-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
Protein ID: PT02791, Hypoxia-inducible factor 1-alpha