General Information of the Compound
| Compound ID |
CP0426140
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| Compound Name |
propan-2-yl (E,5S,6R)-5,6-dihydroxy-8-[4-[(1S)-1-hydroxyhexyl]-2-phenyl-1,3-oxazol-5-yl]oct-7-enoate
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| Structure |
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| Formula |
C26H37NO6
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| Molecular Weight |
459.583
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| Canonical SMILES |
CCCCC[C@H](O)c1nc(oc1\C=C\[C@@H](O)[C@@H](O)CCCC(=O)OC(C)C)-c1ccccc1
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| InChI |
InChI=1S/C26H37NO6/c1-4-5-7-13-22(30)25-23(33-26(27-25)19-11-8-6-9-12-19)17-16-21(29)20(28)14-10-15-24(31)32-18(2)3/h6,8-9,11-12,16-18,20-22,28-30H,4-5,7,10,13-15H2,1-3H3/b17-16+/t20-,21+,22-/m0/s1
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| InChIKey |
BZWOOSQQQLYBJF-FTJWLTEJSA-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
Protein ID: PT02590, N-formyl peptide receptor 2