General Information of the Compound
| Compound ID |
CP0568762
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| Compound Name |
3,4,5-trimethoxy-N-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
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| Structure |
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| Formula |
C28H38N2O4
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| Molecular Weight |
466.622
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1C
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| InChI |
InChI=1S/C28H38N2O4/c1-20(16-22-11-8-7-10-21(22)2)19-30(15-13-24-12-9-14-29(24)3)28(31)23-17-25(32-4)27(34-6)26(18-23)33-5/h7-8,10-11,16-18,24H,9,12-15,19H2,1-6H3/b20-16+
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| InChIKey |
VMCVHPRFEYATTB-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