General Information of the Compound
| Compound ID |
CP0080005
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| Compound Name |
N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-iodophenyl]acetamide
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| Structure |
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| Formula |
C18H19IN2O3
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| Molecular Weight |
438.265
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| Canonical SMILES |
CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1I
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| InChI |
InChI=1S/C18H19IN2O3/c1-10(22)21-15-3-2-11(6-14(15)19)7-16-13-9-18(24)17(23)8-12(13)4-5-20-16/h2-3,6,8-9,16,20,23-24H,4-5,7H2,1H3,(H,21,22)
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| InChIKey |
RYXNEHUZFJQFDO-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