General Information of the Compound
| Compound ID |
CP0481057
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| Compound Name |
3,4,5-trimethoxy-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 |
C27H36N2O4
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| Molecular Weight |
452.595
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
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| InChI |
InChI=1S/C27H36N2O4/c1-20(16-21-10-7-6-8-11-21)19-29(15-13-23-12-9-14-28(23)2)27(30)22-17-24(31-3)26(33-5)25(18-22)32-4/h6-8,10-11,16-18,23H,9,12-15,19H2,1-5H3/b20-16+
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| InChIKey |
PYZMBELGBYJDBI-CAPFRKAQSA-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