General Information of the Compound
| Compound ID |
CP0522320
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| Compound Name |
N-[2-hydroxy-5-[1-hydroxy-2-[(4-methoxyphenyl)methylamino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C17H22N2O5S
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| Molecular Weight |
366.439
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| Canonical SMILES |
COc1ccc(CNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1
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| InChI |
InChI=1S/C17H22N2O5S/c1-24-14-6-3-12(4-7-14)10-18-11-17(21)13-5-8-16(20)15(9-13)19-25(2,22)23/h3-9,17-21H,10-11H2,1-2H3
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| InChIKey |
KVSWBZOFZZMYIO-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