General Information of the Compound
| Compound ID |
CP0920873
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| Compound Name |
N-(3,4-dimethoxyphenethyl)-2-(N-(3-bromophenyl)-4-methylphenylsulfonamido)acetamide
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| Structure |
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| Formula |
C25H27BrN2O5S
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| Molecular Weight |
547.471
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| Canonical SMILES |
COc1ccc(CCNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
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| InChI |
InChI=1S/C25H27BrN2O5S/c1-18-7-10-22(11-8-18)34(30,31)28(21-6-4-5-20(26)16-21)17-25(29)27-14-13-19-9-12-23(32-2)24(15-19)33-3/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,29)
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| InChIKey |
VTDNYJIFFWGHNG-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