General Information of the Compound
| Compound ID |
CP0378930
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| Compound Name |
N-benzyl-2-[(3,4-difluorophenyl)methyl-[3-(3,4-dimethoxyphenoxy)propyl]amino]acetamide
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| Structure |
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| Formula |
C27H30F2N2O4
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| Molecular Weight |
484.543
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| Canonical SMILES |
COc1ccc(OCCCN(CC(=O)NCc2ccccc2)Cc2ccc(F)c(F)c2)cc1OC
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| InChI |
InChI=1S/C27H30F2N2O4/c1-33-25-12-10-22(16-26(25)34-2)35-14-6-13-31(18-21-9-11-23(28)24(29)15-21)19-27(32)30-17-20-7-4-3-5-8-20/h3-5,7-12,15-16H,6,13-14,17-19H2,1-2H3,(H,30,32)
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| InChIKey |
XYAUEJZEYBWBSI-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