General Information of the Compound
| Compound ID |
CP0272444
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| Compound Name |
N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2,6-diiodophenyl]acetamide
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| Structure |
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| Formula |
C18H18I2N2O3
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| Molecular Weight |
564.161
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| Canonical SMILES |
CC(=O)Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
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| InChI |
InChI=1S/C18H18I2N2O3/c1-9(23)22-18-13(19)4-10(5-14(18)20)6-15-12-8-17(25)16(24)7-11(12)2-3-21-15/h4-5,7-8,15,21,24-25H,2-3,6H2,1H3,(H,22,23)
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| InChIKey |
FYQQSNUULYNZPD-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