General Information of the Compound
| Compound ID |
CP0417351
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| Compound Name |
N-[(2-chlorophenyl)methyl]-2-[(3,4-difluorophenyl)methyl-[2-(3,4-dimethoxyphenoxy)ethyl]amino]acetamide
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| Structure |
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| Formula |
C26H27ClF2N2O4
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| Molecular Weight |
504.961
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| Canonical SMILES |
COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2ccc(F)c(F)c2)cc1OC
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| InChI |
InChI=1S/C26H27ClF2N2O4/c1-33-24-10-8-20(14-25(24)34-2)35-12-11-31(16-18-7-9-22(28)23(29)13-18)17-26(32)30-15-19-5-3-4-6-21(19)27/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,30,32)
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| InChIKey |
MMZYWKXQSQDUIZ-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