General Information of the Compound
| Compound ID |
CP0426139
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| Compound Name |
methyl (E,5S,6R)-5,6-dihydroxy-8-[5-[(1S)-1-hydroxyethyl]-1,2-dimethylimidazol-4-yl]oct-7-enoate
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| Structure |
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| Formula |
C16H26N2O5
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| Molecular Weight |
326.393
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| Canonical SMILES |
COC(=O)CCC[C@H](O)[C@H](O)\C=C\c1nc(C)n(C)c1[C@H](C)O
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| InChI |
InChI=1S/C16H26N2O5/c1-10(19)16-12(17-11(2)18(16)3)8-9-14(21)13(20)6-5-7-15(22)23-4/h8-10,13-14,19-21H,5-7H2,1-4H3/b9-8+/t10-,13-,14+/m0/s1
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| InChIKey |
QXDDTSFDBMUCQY-PQSVRLDZSA-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