General Information of the Compound
| Compound ID |
CP0478343
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| Compound Name |
3-[2-[2-(4-bromophenyl)sulfanylethoxy]-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 |
C33H41BrN2O8S
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| Molecular Weight |
705.668
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| Canonical SMILES |
CCCCN(O)C(=O)Nc1cc(cc(OC)c1OCCSc1ccc(Br)cc1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C33H41BrN2O8S/c1-6-7-14-36(38)33(37)35-25-17-21(18-28(39-2)31(25)43-15-16-45-24-10-8-23(34)9-11-24)26-12-13-27(44-26)22-19-29(40-3)32(42-5)30(20-22)41-4/h8-11,17-20,26-27,38H,6-7,12-16H2,1-5H3,(H,35,37)/t26-,27-/m0/s1
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| InChIKey |
KQMVLNJLOLLYRK-SVBPBHIXSA-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