General Information of the Compound
| Compound ID |
CP0482041
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| Compound Name |
3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
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| Structure |
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| Formula |
C29H40N2O4
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| Molecular Weight |
480.649
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(CCCN1CCCCC1C)C\C(C)=C\c1ccccc1
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| InChI |
InChI=1S/C29H40N2O4/c1-22(18-24-13-7-6-8-14-24)21-31(17-11-16-30-15-10-9-12-23(30)2)29(32)25-19-26(33-3)28(35-5)27(20-25)34-4/h6-8,13-14,18-20,23H,9-12,15-17,21H2,1-5H3/b22-18+
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| InChIKey |
PCGHBTIIIVGRFY-RELWKKBWSA-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