General Information of the Compound
| Compound ID |
CP0433293
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| Compound Name |
3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-[(E)-3-phenylprop-2-enyl]benzamide
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| Structure |
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| Formula |
C26H34N2O4
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| Molecular Weight |
438.568
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C=C\c1ccccc1
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| InChI |
InChI=1S/C26H34N2O4/c1-27-15-9-13-22(27)14-17-28(16-8-12-20-10-6-5-7-11-20)26(29)21-18-23(30-2)25(32-4)24(19-21)31-3/h5-8,10-12,18-19,22H,9,13-17H2,1-4H3/b12-8+
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| InChIKey |
WQAJMCVGYHWLAI-XYOKQWHBSA-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