General Information of the Compound
| Compound ID |
CP0420862
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| Compound Name |
N-[2-hydroxy-5-[1-hydroxy-2-[[1-(3-methoxyphenyl)-2-phenylethyl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C24H28N2O5S
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| Molecular Weight |
456.564
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| Canonical SMILES |
COc1cccc(c1)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C24H28N2O5S/c1-31-20-10-6-9-18(14-20)21(13-17-7-4-3-5-8-17)25-16-24(28)19-11-12-23(27)22(15-19)26-32(2,29)30/h3-12,14-15,21,24-28H,13,16H2,1-2H3
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| InChIKey |
HISLBQUHLBEWBG-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