General Information of the Compound
| Compound ID |
CP0852690
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| Compound Name |
4-(3-Thienyl)-7-[(2,4,6-trifluorobenzyl)oxy]-2-naphthoic acid
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| Structure |
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| Formula |
C22H13F3O3S
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| Molecular Weight |
414.404
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| Canonical SMILES |
O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(F)cc(F)cc3F)cc2c1
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| InChI |
InChI=1S/C22H13F3O3S/c23-15-8-20(24)19(21(25)9-15)10-28-16-1-2-17-13(6-16)5-14(22(26)27)7-18(17)12-3-4-29-11-12/h1-9,11H,10H2,(H,26,27)
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| InChIKey |
GEIXUIQIFMLTDI-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