General Information of the Compound
| Compound ID |
CP0564932
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| Compound Name |
3-[1-(3,4-dichlorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
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| Structure |
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| Formula |
C19H21Cl2NO
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| Molecular Weight |
350.289
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| Canonical SMILES |
CN(C)CCCC1(OCc2ccccc12)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H21Cl2NO/c1-22(2)11-5-10-19(15-8-9-17(20)18(21)12-15)16-7-4-3-6-14(16)13-23-19/h3-4,6-9,12H,5,10-11,13H2,1-2H3
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| InChIKey |
MQLHVOGYGMSPAT-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