General Information of the Compound
| Compound ID |
CP0918667
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| Compound Name |
N-(3,4-dimethoxyphenethyl)-2-(N-(2,3-dimethylphenyl)-4-methylphenylsulfonamido)acetamide
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| Structure |
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| Formula |
C27H32N2O5S
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| Molecular Weight |
496.629
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| Canonical SMILES |
COc1ccc(CCNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC
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| InChI |
InChI=1S/C27H32N2O5S/c1-19-9-12-23(13-10-19)35(31,32)29(24-8-6-7-20(2)21(24)3)18-27(30)28-16-15-22-11-14-25(33-4)26(17-22)34-5/h6-14,17H,15-16,18H2,1-5H3,(H,28,30)
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| InChIKey |
WUBBQPPVGRLFAM-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