General Information of the Compound
| Compound ID |
CP0391050
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| Compound Name |
(5Z)-5-[[1-[(2,6-difluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
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| Formula |
C21H23F2N3OS
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| Molecular Weight |
403.498
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| Canonical SMILES |
CC\N=C1/S\C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1CC
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| InChI |
InChI=1S/C21H23F2N3OS/c1-5-24-21-25(6-2)20(27)19(28-21)11-15-10-13(3)26(14(15)4)12-16-17(22)8-7-9-18(16)23/h7-11H,5-6,12H2,1-4H3/b19-11-,24-21-
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| InChIKey |
KQXFPFFZHDCVOQ-NGIYOEEDSA-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