General Information of the Compound
| Compound ID |
CP0575754
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| Compound Name |
2,5-dimethoxy-4-[2-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
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| Structure |
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| Formula |
C19H22N2O3
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| Molecular Weight |
326.396
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| Canonical SMILES |
COc1ccccc1CNCCc1cc(OC)c(cc1OC)C#N
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| InChI |
InChI=1S/C19H22N2O3/c1-22-17-7-5-4-6-15(17)13-21-9-8-14-10-19(24-3)16(12-20)11-18(14)23-2/h4-7,10-11,21H,8-9,13H2,1-3H3
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| InChIKey |
QBJWOIWLBRLGKZ-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