General Information of the Compound
| Compound ID |
CP0453532
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| Compound Name |
1-tert-butyl-1-hydroxy-3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]urea
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| Structure |
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| Formula |
C28H40N2O8
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| Molecular Weight |
532.634
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| Canonical SMILES |
CCCOc1c(NC(=O)N(O)C(C)(C)C)cc(cc1OC)C1CCC(O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C28H40N2O8/c1-9-12-37-25-19(29-27(31)30(32)28(2,3)4)13-17(14-22(25)33-5)20-10-11-21(38-20)18-15-23(34-6)26(36-8)24(16-18)35-7/h13-16,20-21,32H,9-12H2,1-8H3,(H,29,31)
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| InChIKey |
HZDGIIPDZBKNTD-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