General Information of the Compound
| Compound ID |
CP0426195
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| Compound Name |
3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
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| Structure |
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| Formula |
C27H36N2O5
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| Molecular Weight |
468.594
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(CCCN1CCOCC1)C\C(C)=C\c1ccccc1
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| InChI |
InChI=1S/C27H36N2O5/c1-21(17-22-9-6-5-7-10-22)20-29(12-8-11-28-13-15-34-16-14-28)27(30)23-18-24(31-2)26(33-4)25(19-23)32-3/h5-7,9-10,17-19H,8,11-16,20H2,1-4H3/b21-17+
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| InChIKey |
PHFUSOBGWZEVDC-HEHNFIMWSA-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