General Information of the Compound
| Compound ID |
CP0389787
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| Compound Name |
3-[4-[[1-(4-chlorophenyl)pyrrol-2-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C22H22ClNO3
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| Molecular Weight |
383.875
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| Canonical SMILES |
Cc1c(C)c(OCc2cccn2-c2ccc(Cl)cc2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C22H22ClNO3/c1-15-16(2)21(11-5-17(15)6-12-22(25)26)27-14-20-4-3-13-24(20)19-9-7-18(23)8-10-19/h3-5,7-11,13H,6,12,14H2,1-2H3,(H,25,26)
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| InChIKey |
YRKZUOGDYMAQIK-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