General Information of the Compound
| Compound ID |
CP0168489
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| Compound Name |
4-[[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylpyrimidin-4-yl]amino]benzoic acid
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| Structure |
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| Formula |
C20H17N3O4S
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| Molecular Weight |
395.44
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)C(O)=O)n1
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| InChI |
InChI=1S/C20H17N3O4S/c1-27-16-8-4-13(5-9-16)17(24)12-28-20-21-11-10-18(23-20)22-15-6-2-14(3-7-15)19(25)26/h2-11H,12H2,1H3,(H,25,26)(H,21,22,23)
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| InChIKey |
QAFSVFWJTPHJPW-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