General Information of the Compound
| Compound ID |
CP0437558
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| Compound Name |
(E)-3-[6-(2,6-diiodo-4-pyridin-2-ylphenoxy)pyridin-3-yl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C38H34I2N4O4
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| Molecular Weight |
864.522
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| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5c(I)cc(cc5I)-c5ccccn5)nc4)cc3)Cc2cc1OC
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| InChI |
InChI=1S/C38H34I2N4O4/c1-46-34-21-27-15-18-44(24-29(27)22-35(34)47-2)17-14-25-6-10-30(11-7-25)43-36(45)12-8-26-9-13-37(42-23-26)48-38-31(39)19-28(20-32(38)40)33-5-3-4-16-41-33/h3-13,16,19-23H,14-15,17-18,24H2,1-2H3,(H,43,45)/b12-8+
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| InChIKey |
DDFDEZGPWSNEIN-XYOKQWHBSA-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