General Information of the Compound
| Compound ID |
CP0541018
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| Compound Name |
(R)-4-[2-Cyano-5-(isothiazol-4-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
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| Structure |
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| Formula |
C22H20N2O4S
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| Molecular Weight |
408.479
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| Canonical SMILES |
Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cnsc2)ccc1C#N
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| InChI |
InChI=1S/C22H20N2O4S/c1-15-4-2-3-5-19(15)20(8-9-22(25)26)28-21-10-18(7-6-17(21)11-23)27-13-16-12-24-29-14-16/h2-7,10,12,14,20H,8-9,13H2,1H3,(H,25,26)/t20-/m1/s1
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| InChIKey |
LFOQFWMAMDUQMO-HXUWFJFHSA-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