General Information of the Compound
| Compound ID |
CP0567932
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| Compound Name |
4-[2-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-2,5-dimethoxybenzonitrile
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| Structure |
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| Formula |
C19H20N2O3
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| Molecular Weight |
324.38
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| Canonical SMILES |
COc1cc(C#N)c(OC)cc1CCNC1COc2ccccc12
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| InChI |
InChI=1S/C19H20N2O3/c1-22-18-10-14(11-20)19(23-2)9-13(18)7-8-21-16-12-24-17-6-4-3-5-15(16)17/h3-6,9-10,16,21H,7-8,12H2,1-2H3
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| InChIKey |
HGVSMNAHTYILSO-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