General Information of the Compound
| Compound ID |
CP0397003
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| Compound Name |
3-[5-[(E)-[3-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-methylbenzoic acid
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| Structure |
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| Formula |
C24H17FN2O6S
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| Molecular Weight |
480.473
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| Canonical SMILES |
Cc1c(cccc1-c1ccc(\C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1)C(O)=O
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| InChI |
InChI=1S/C24H17FN2O6S/c1-13-17(3-2-4-18(13)23(30)31)19-10-9-16(33-19)11-20-22(29)27(24(32)34-20)12-21(28)26-15-7-5-14(25)6-8-15/h2-11H,12H2,1H3,(H,26,28)(H,30,31)/b20-11+
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| InChIKey |
RWPIODBMAVXTEP-RGVLZGJSSA-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