General Information of the Compound
| Compound ID |
CP0449106
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| Compound Name |
5-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-nicotinamide
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
NC(=O)c1cncc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C24H27N3O3/c25-23(29)18-8-20(13-26-12-18)27-22(28)14-30-21-3-1-19(2-4-21)24-9-15-5-16(10-24)7-17(6-15)11-24/h1-4,8,12-13,15-17H,5-7,9-11,14H2,(H2,25,29)(H,27,28)
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| InChIKey |
RNKGSWWPDQQSGF-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