General Information of the Compound
| Compound ID |
CP0201486
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| Compound Name |
N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-iodophenyl]benzamide
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| Structure |
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| Formula |
C23H21IN2O3
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| Molecular Weight |
500.336
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| Canonical SMILES |
Oc1cc2CCNC(Cc3ccc(NC(=O)c4ccccc4)c(I)c3)c2cc1O
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| InChI |
InChI=1S/C23H21IN2O3/c24-18-10-14(6-7-19(18)26-23(29)15-4-2-1-3-5-15)11-20-17-13-22(28)21(27)12-16(17)8-9-25-20/h1-7,10,12-13,20,25,27-28H,8-9,11H2,(H,26,29)
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| InChIKey |
HRYHIXCPOVTQSG-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