General Information of the Compound
| Compound ID |
CP0426163
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| Compound Name |
methyl (E,5S,6R)-5,6-dihydroxy-8-[5-[(1S)-1-hydroxybutyl]-1,2-dimethylimidazol-4-yl]oct-7-enoate
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| Structure |
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| Formula |
C18H30N2O5
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| Molecular Weight |
354.447
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| Canonical SMILES |
CCC[C@H](O)c1c(\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC)nc(C)n1C
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| InChI |
InChI=1S/C18H30N2O5/c1-5-7-16(23)18-13(19-12(2)20(18)3)10-11-15(22)14(21)8-6-9-17(24)25-4/h10-11,14-16,21-23H,5-9H2,1-4H3/b11-10+/t14-,15+,16-/m0/s1
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| InChIKey |
PPSSTCSZVRFORP-RNEVZHRXSA-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