General Information of the Compound
| Compound ID |
CP0489839
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| Compound Name |
2-[6-[[2-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C22H20ClNO5
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| Molecular Weight |
413.857
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc3C(CC(O)=O)COc3c2)c1
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| InChI |
InChI=1S/C22H20ClNO5/c1-12-22(13(2)29-24-12)14-3-6-19(23)16(7-14)11-27-17-4-5-18-15(8-21(25)26)10-28-20(18)9-17/h3-7,9,15H,8,10-11H2,1-2H3,(H,25,26)
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| InChIKey |
ZRFLBQPSZFRLNP-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