General Information of the Compound
| Compound ID |
CP0514359
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| Compound Name |
N-[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C19H26N2O6S
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| Molecular Weight |
410.492
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| Canonical SMILES |
COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC
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| InChI |
InChI=1S/C19H26N2O6S/c1-26-18-7-4-13(10-19(18)27-2)8-9-20-12-17(23)14-5-6-16(22)15(11-14)21-28(3,24)25/h4-7,10-11,17,20-23H,8-9,12H2,1-3H3
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| InChIKey |
TXCCDXDIUFVUKV-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