General Information of the Compound
| Compound ID |
CP0864722
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| Compound Name |
7-[(6-Chloro-2-fluoro-3-methylbenzyl)oxy]-4-(3-thienyl)-2-naphthoic acid
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| Structure |
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| Formula |
C23H16ClFO3S
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| Molecular Weight |
426.896
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| Canonical SMILES |
Cc1ccc(Cl)c(COc2ccc3c(-c4ccsc4)cc(C(=O)O)cc3c2)c1F
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| InChI |
InChI=1S/C23H16ClFO3S/c1-13-2-5-21(24)20(22(13)25)11-28-17-3-4-18-15(9-17)8-16(23(26)27)10-19(18)14-6-7-29-12-14/h2-10,12H,11H2,1H3,(H,26,27)
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| InChIKey |
FHIJHKXBLZZSQR-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