General Information of the Compound
| Compound ID |
CP0461784
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| Compound Name |
2-[4-chloro-2-[2-(2-methyl-5-propylsulfonylphenyl)ethynyl]phenoxy]pentanoic acid
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| Structure |
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| Formula |
C23H25ClO5S
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| Molecular Weight |
448.968
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| Canonical SMILES |
CCCC(Oc1ccc(Cl)cc1C#Cc1cc(ccc1C)S(=O)(=O)CCC)C(O)=O
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| InChI |
InChI=1S/C23H25ClO5S/c1-4-6-22(23(25)26)29-21-12-10-19(24)14-18(21)9-8-17-15-20(11-7-16(17)3)30(27,28)13-5-2/h7,10-12,14-15,22H,4-6,13H2,1-3H3,(H,25,26)
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| InChIKey |
WRVNVQNEKRLNFH-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