General Information of the Compound
| Compound ID |
CP0454171
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| Compound Name |
5-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-nicotinic acid methyl ester
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| Structure |
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| Formula |
C25H28N2O4
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| Molecular Weight |
420.509
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| Canonical SMILES |
COC(=O)c1cncc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C25H28N2O4/c1-30-24(29)19-9-21(14-26-13-19)27-23(28)15-31-22-4-2-20(3-5-22)25-10-16-6-17(11-25)8-18(7-16)12-25/h2-5,9,13-14,16-18H,6-8,10-12,15H2,1H3,(H,27,28)
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| InChIKey |
OASPCDILGCFCDY-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