General Information of the Compound
| Compound ID |
CP0169469
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| Compound Name |
1-(6-methoxypyridin-3-yl)-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 |
C29H27N3O6
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| Molecular Weight |
513.55
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| Canonical SMILES |
COc1ccc(cn1)N1C(C(Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O
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| InChI |
InChI=1S/C29H27N3O6/c1-18-24(31-27(38-18)20-8-4-3-5-9-20)13-14-37-22-10-6-7-19(15-22)16-23-26(29(34)35)32(28(23)33)21-11-12-25(36-2)30-17-21/h3-12,15,17,23,26H,13-14,16H2,1-2H3,(H,34,35)
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| InChIKey |
KJPHCDRIBYSNBO-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