General Information of the Compound
| Compound ID |
CP0534330
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| Compound Name |
N-[5-[2-[[1-(1-benzothiophen-5-yl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C25H26N2O4S2
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| Molecular Weight |
482.627
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccc2sccc2c1
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| InChI |
InChI=1S/C25H26N2O4S2/c1-33(30,31)27-22-15-19(7-9-23(22)28)24(29)16-26-21(13-17-5-3-2-4-6-17)18-8-10-25-20(14-18)11-12-32-25/h2-12,14-15,21,24,26-29H,13,16H2,1H3
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| InChIKey |
LWCOXYXAWDASLT-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