General Information of the Compound
| Compound ID |
CP0844857
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| Compound Name |
N-(2-fluoro-3,4-dimethoxyphenethyl)-2-(4-methyl-N-o-tolylphenylsulfonamido)acetamide
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| Structure |
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| Formula |
C26H29FN2O5S
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| Molecular Weight |
500.592
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| Canonical SMILES |
COc1ccc(CCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c(F)c1OC
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| InChI |
InChI=1S/C26H29FN2O5S/c1-18-9-12-21(13-10-18)35(31,32)29(22-8-6-5-7-19(22)2)17-24(30)28-16-15-20-11-14-23(33-3)26(34-4)25(20)27/h5-14H,15-17H2,1-4H3,(H,28,30)
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| InChIKey |
CPURYAJAGIXIKQ-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