General Information of the Compound
| Compound ID |
CP0415877
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| Compound Name |
2-[4-[[3-(2,5-dimethylpyrrol-1-yl)phenyl]methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C21H21NO5S
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| Molecular Weight |
399.468
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| Canonical SMILES |
Cc1ccc(C)n1-c1cccc(COc2ccc(cc2)S(=O)(=O)CC(O)=O)c1
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| InChI |
InChI=1S/C21H21NO5S/c1-15-6-7-16(2)22(15)18-5-3-4-17(12-18)13-27-19-8-10-20(11-9-19)28(25,26)14-21(23)24/h3-12H,13-14H2,1-2H3,(H,23,24)
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| InChIKey |
JEVTVEZZGINPQX-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