General Information of the Compound
| Compound ID |
CP0497152
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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 |
CCCNC(=O)N(O)c1cc(cc(OCCC)c1OCCC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C29H42N2O8/c1-7-12-30-29(32)31(33)21-15-19(18-26(37-13-8-2)27(21)38-14-9-3)22-10-11-23(39-22)20-16-24(34-4)28(36-6)25(17-20)35-5/h15-18,22-23,33H,7-14H2,1-6H3,(H,30,32)/t22-,23-/m1/s1
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| InChIKey |
KBAHSRMFGKKDMA-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