General Information of the Compound
| Compound ID |
CP0483881
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| Compound Name |
N-benzyl-2-[3-(3,4-dimethoxyphenoxy)propyl-(thiophen-2-ylmethyl)amino]acetamide
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| Structure |
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| Formula |
C25H30N2O4S
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| Molecular Weight |
454.592
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| Canonical SMILES |
COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC
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| InChI |
InChI=1S/C25H30N2O4S/c1-29-23-12-11-21(16-24(23)30-2)31-14-7-13-27(18-22-10-6-15-32-22)19-25(28)26-17-20-8-4-3-5-9-20/h3-6,8-12,15-16H,7,13-14,17-19H2,1-2H3,(H,26,28)
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| InChIKey |
OYXDTXSFNWPPOR-UHFFFAOYSA-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