General Information of the Compound
| Compound ID |
CP0377819
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| Compound Name |
3-hydroxy-4-(thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthoic acid
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| Structure |
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| Formula |
C22H13F3O4S
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| Molecular Weight |
430.403
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| Canonical SMILES |
OC(=O)c1cc2cc(ccc2c(-c2ccsc2)c1O)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C22H13F3O4S/c23-22(24,25)29-16-4-1-12(2-5-16)13-3-6-17-15(9-13)10-18(21(27)28)20(26)19(17)14-7-8-30-11-14/h1-11,26H,(H,27,28)
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| InChIKey |
JRIQYEPUGBZBHP-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