General Information of the Compound
| Compound ID |
CP0551623
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| Compound Name |
N-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
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| Structure |
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| Formula |
C18H20BrNO3
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| Molecular Weight |
378.266
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| Canonical SMILES |
COc1cc(CCNC2COc3ccccc23)c(OC)cc1Br
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| InChI |
InChI=1S/C18H20BrNO3/c1-21-17-10-14(19)18(22-2)9-12(17)7-8-20-15-11-23-16-6-4-3-5-13(15)16/h3-6,9-10,15,20H,7-8,11H2,1-2H3
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| InChIKey |
ZZPBCWVOHRBRPY-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