General Information of the Compound
| Compound ID |
CP0103697
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| Compound Name |
2-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methylamino]ethanol
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| Structure |
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| Formula |
C24H27NO4S
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| Molecular Weight |
425.55
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| Canonical SMILES |
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1
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| InChI |
InChI=1S/C24H27NO4S/c1-19-13-22(18-30(27,28)24-5-3-2-4-6-24)15-23(14-19)29-17-21-9-7-20(8-10-21)16-25-11-12-26/h2-10,13-15,25-26H,11-12,16-18H2,1H3
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| InChIKey |
YBBIVPIUIQVWRS-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