General Information of the Compound
| Compound ID |
CP0542546
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| Compound Name |
5-lipoxygenase inhibitor
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| Structure |
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| Formula |
C29H42N2O8
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| Molecular Weight |
546.661
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| Canonical SMILES |
CCCOc1cc(cc(N(CC)C(=O)N(C)O)c1OCCC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C29H42N2O8/c1-8-13-37-26-18-19(15-21(27(26)38-14-9-2)31(10-3)29(32)30(4)33)22-11-12-23(39-22)20-16-24(34-5)28(36-7)25(17-20)35-6/h15-18,22-23,33H,8-14H2,1-7H3/t22-,23-/m1/s1
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| InChIKey |
UPHCJDBGBFEYAD-DHIUTWEWSA-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