General Information of the Compound
| Compound ID |
CP0502690
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| Compound Name |
(4-Bromo-phenyl)-(6,7-dimethoxy-isoquinolin-1-yl)-amine
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| Structure |
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| Formula |
C17H15BrN2O2
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| Molecular Weight |
359.223
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| Canonical SMILES |
COc1cc2ccnc(Nc3ccc(Br)cc3)c2cc1OC
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| InChI |
InChI=1S/C17H15BrN2O2/c1-21-15-9-11-7-8-19-17(14(11)10-16(15)22-2)20-13-5-3-12(18)4-6-13/h3-10H,1-2H3,(H,19,20)
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| InChIKey |
ZRGBWXRNEGWREH-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