General Information of the Compound
| Compound ID |
CP0521867
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| Compound Name |
2-[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl]oxyacetic acid
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| Structure |
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| Formula |
C16H13NO5S
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| Molecular Weight |
331.349
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| Canonical SMILES |
Cc1csc(n1)-c1coc2cc(OCC(O)=O)cc(C)c2c1=O
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| InChI |
InChI=1S/C16H13NO5S/c1-8-3-10(21-6-13(18)19)4-12-14(8)15(20)11(5-22-12)16-17-9(2)7-23-16/h3-5,7H,6H2,1-2H3,(H,18,19)
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| InChIKey |
ZEIRIYJTRSQIFR-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