General Information of the Compound
| Compound ID |
CP0181869
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| Compound Name |
3-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxyazetidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C29H23Cl3N2O5
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| Molecular Weight |
585.871
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| Canonical SMILES |
OC(=O)c1cccc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
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| InChI |
InChI=1S/C29H23Cl3N2O5/c30-22-5-2-6-23(31)25(22)26-20(27(39-33-26)16-7-8-16)13-38-19-9-10-21(24(32)12-19)29(37)14-34(15-29)18-4-1-3-17(11-18)28(35)36/h1-6,9-12,16,37H,7-8,13-15H2,(H,35,36)
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| InChIKey |
PDOUFQOWISOLIC-UHFFFAOYSA-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