General Information of the Compound
| Compound ID |
CP0428807
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| Compound Name |
2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-[2-(trifluoromethyl)phenyl]acetic acid
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| Structure |
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| Formula |
C21H14F3NO4S
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| Molecular Weight |
433.407
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| Canonical SMILES |
OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C21H14F3NO4S/c22-21(23,24)17-4-2-1-3-16(17)19(20(26)27)29-18-9-15(6-5-14(18)10-25)28-11-13-7-8-30-12-13/h1-9,12,19H,11H2,(H,26,27)
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| InChIKey |
DOBAMTNAGGMTSB-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