General Information of the Compound
| Compound ID |
CP0530295
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| Compound Name |
3-[2-[2-(2-bromophenyl)sulfonylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]-1-butyl-1-hydroxyurea
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| Structure |
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| Formula |
C33H41BrN2O10S
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| Molecular Weight |
737.666
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| Canonical SMILES |
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCS(=O)(=O)c1ccccc1Br)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C33H41BrN2O10S/c1-6-7-14-36(38)33(37)35-24-17-21(25-12-13-26(46-25)22-19-28(42-3)32(44-5)29(20-22)43-4)18-27(41-2)31(24)45-15-16-47(39,40)30-11-9-8-10-23(30)34/h8-11,17-20,25-26,38H,6-7,12-16H2,1-5H3,(H,35,37)/t25-,26-/m0/s1
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| InChIKey |
LVZUZOQDOBUGEF-UIOOFZCWSA-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