General Information of the Compound
| Compound ID |
CP0137087
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| Compound Name |
1-(4-chlorophenyl)-3-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxoazetidine-2-carboxylic acid
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| Structure |
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| Formula |
C29H25ClN2O5
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| Molecular Weight |
516.981
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| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(CC2C(N(C2=O)c2ccc(Cl)cc2)C(O)=O)c1)-c1ccccc1
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| InChI |
InChI=1S/C29H25ClN2O5/c1-18-25(31-27(37-18)20-7-3-2-4-8-20)14-15-36-23-9-5-6-19(16-23)17-24-26(29(34)35)32(28(24)33)22-12-10-21(30)11-13-22/h2-13,16,24,26H,14-15,17H2,1H3,(H,34,35)
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| InChIKey |
SDFVRVMCCOASEM-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