General Information of the Compound
| Compound ID |
CP0438093
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| Compound Name |
(5Z)-3-ethyl-2-ethylimino-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
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| Formula |
C20H22FN3OS
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| Molecular Weight |
371.481
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| Canonical SMILES |
CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1CC
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| InChI |
InChI=1S/C20H22FN3OS/c1-5-22-20-23(6-2)19(25)18(26-20)12-15-11-13(3)24(14(15)4)17-10-8-7-9-16(17)21/h7-12H,5-6H2,1-4H3/b18-12-,22-20-
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| InChIKey |
OPMARSNJWIDIKU-JLZFKDTQSA-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