General Information of the Compound
| Compound ID |
CP0426146
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| Compound Name |
methyl (E,5S,6R)-5,6-dihydroxy-8-[5-[(1S)-1-hydroxyhexyl]-2,3-diphenylimidazol-4-yl]oct-7-enoate
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| Structure |
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| Formula |
C30H38N2O5
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| Molecular Weight |
506.643
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| Canonical SMILES |
CCCCC[C@H](O)c1nc(-c2ccccc2)n(c1\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC)-c1ccccc1
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| InChI |
InChI=1S/C30H38N2O5/c1-3-4-7-17-27(35)29-24(20-21-26(34)25(33)18-12-19-28(36)37-2)32(23-15-10-6-11-16-23)30(31-29)22-13-8-5-9-14-22/h5-6,8-11,13-16,20-21,25-27,33-35H,3-4,7,12,17-19H2,1-2H3/b21-20+/t25-,26+,27-/m0/s1
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| InChIKey |
VGXMROVCMLMHKD-ATNDNMNUSA-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