General Information of the Compound
| Compound ID |
CP0962766
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| Compound Name |
N-(3,4-dimethoxyphenethyl)-2-(N-(2-ethylphenyl)-4-(trifluoromethoxy)phenylsulfonamido)acetamide
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| Structure |
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| Formula |
C27H29F3N2O6S
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| Molecular Weight |
566.598
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| Canonical SMILES |
CCc1ccccc1N(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C27H29F3N2O6S/c1-4-20-7-5-6-8-23(20)32(39(34,35)22-12-10-21(11-13-22)38-27(28,29)30)18-26(33)31-16-15-19-9-14-24(36-2)25(17-19)37-3/h5-14,17H,4,15-16,18H2,1-3H3,(H,31,33)
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| InChIKey |
XOOUGLHMASTPQS-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