General Information of the Compound
| Compound ID |
CP0478244
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| Compound Name |
3-[[2-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]methyl]-1-hydroxy-1-methylurea
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| Synonyms |
3-[2-[2-(4-Chlorophenylsulfanyl)ethoxy]-3-methoxy-5-[trans-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]benzyl]-1-hydroxy-1-methylurea
CMI-392
LDP-392
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| Structure |
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| Formula |
C31H37ClN2O8S
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| Molecular Weight |
633.163
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| Canonical SMILES |
COc1cc(cc(CNC(=O)N(C)O)c1OCCSc1ccc(Cl)cc1)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C31H37ClN2O8S/c1-34(36)31(35)33-18-21-14-19(15-26(37-2)29(21)41-12-13-43-23-8-6-22(32)7-9-23)24-10-11-25(42-24)20-16-27(38-3)30(40-5)28(17-20)39-4/h6-9,14-17,24-25,36H,10-13,18H2,1-5H3,(H,33,35)/t24-,25-/m0/s1
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| InChIKey |
LZVBMKDVEPGGFK-DQEYMECFSA-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
Clinical Information about the Compound