General Information of the Compound
| Compound ID |
CP0535050
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| Compound Name |
5-lipoxygenase inhibitor
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| Structure |
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| Formula |
C30H44N2O8
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| Molecular Weight |
560.688
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| Canonical SMILES |
CCCOc1cc(cc(N(CC)C(=O)N(O)CC)c1OCCC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C30H44N2O8/c1-8-14-38-27-19-20(16-22(28(27)39-15-9-2)31(10-3)30(33)32(34)11-4)23-12-13-24(40-23)21-17-25(35-5)29(37-7)26(18-21)36-6/h16-19,23-24,34H,8-15H2,1-7H3/t23-,24-/m1/s1
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| InChIKey |
BWUAWUAJDLYDIQ-DNQXCXABSA-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