General Information of the Compound
| Compound ID |
CP0400096
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| Compound Name |
2,4-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
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| Structure |
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| Formula |
C26H34N2O3
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| Molecular Weight |
422.569
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| Canonical SMILES |
COc1ccc(C(=O)N(CCC2CCCN2C)C\C(C)=C\c2ccccc2)c(OC)c1
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| InChI |
InChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-22-11-8-15-27(22)2)26(29)24-13-12-23(30-3)18-25(24)31-4/h5-7,9-10,12-13,17-18,22H,8,11,14-16,19H2,1-4H3/b20-17+
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| InChIKey |
KWLFLMLHIOMEHW-LVZFUZTISA-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