General Information of the Compound
| Compound ID |
CP0382596
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| Compound Name |
2-[4-chloro-2-[2-[4-(dimethylcarbamoyl)-3-propan-2-ylsulfonylphenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C22H22ClNO6S
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| Molecular Weight |
463.939
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| Canonical SMILES |
CC(C)S(=O)(=O)c1cc(ccc1C(=O)N(C)C)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C22H22ClNO6S/c1-14(2)31(28,29)20-11-15(6-9-18(20)22(27)24(3)4)5-7-16-12-17(23)8-10-19(16)30-13-21(25)26/h6,8-12,14H,13H2,1-4H3,(H,25,26)
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| InChIKey |
RPAJXBZLOJJECO-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