General Information of the Compound
| Compound ID |
CP0567120
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| Compound Name |
2-[(3S)-6-[[4-chloro-3-(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-c1cc(COc2ccc3[C@H](CC(O)=O)COc3c2)ccc1Cl
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| InChI |
InChI=1S/C22H20ClNO5/c1-12-22(13(2)29-24-12)18-7-14(3-6-19(18)23)10-27-16-4-5-17-15(8-21(25)26)11-28-20(17)9-16/h3-7,9,15H,8,10-11H2,1-2H3,(H,25,26)/t15-/m1/s1
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| InChIKey |
GMZSIRJODUWYTE-OAHLLOKOSA-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