General Information of the Compound
| Compound ID |
CP0412558
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| Compound Name |
[2-[(4,5-dihydroxy-2-iodophenyl)methylamino]-2-oxoethyl] (2E)-3,7-dimethylocta-2,6-dienoate
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| Structure |
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| Formula |
C19H24INO5
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| Molecular Weight |
473.307
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\C(=O)OCC(=O)NCc1cc(O)c(O)cc1I
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| InChI |
InChI=1S/C19H24INO5/c1-12(2)5-4-6-13(3)7-19(25)26-11-18(24)21-10-14-8-16(22)17(23)9-15(14)20/h5,7-9,22-23H,4,6,10-11H2,1-3H3,(H,21,24)/b13-7+
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| InChIKey |
HNSFGWFZUZGHKV-NTUHNPAUSA-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