General Information of the Compound
| Compound ID |
CP0437908
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| Compound Name |
4-[2-[1-(2-fluoro-6-methoxyphenyl)triazol-4-yl]phenyl]sulfanylbenzoic acid
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| Structure |
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| Formula |
C22H16FN3O3S
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| Molecular Weight |
421.453
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| Canonical SMILES |
COc1cccc(F)c1-n1cc(nn1)-c1ccccc1Sc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H16FN3O3S/c1-29-19-7-4-6-17(23)21(19)26-13-18(24-25-26)16-5-2-3-8-20(16)30-15-11-9-14(10-12-15)22(27)28/h2-13H,1H3,(H,27,28)
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| InChIKey |
LGSQSEGWJFTMGK-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