General Information of the Compound
| Compound ID |
CP0564256
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| Compound Name |
(5Z)-5-[[4-hydroxy-3-(trifluoromethyl)phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
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| Formula |
C21H19F3N2O2S
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| Molecular Weight |
420.456
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(O)c(c2)C(F)(F)F)C(=O)N1c1ccccc1C
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| InChI |
InChI=1S/C21H19F3N2O2S/c1-3-10-25-20-26(16-7-5-4-6-13(16)2)19(28)18(29-20)12-14-8-9-17(27)15(11-14)21(22,23)24/h4-9,11-12,27H,3,10H2,1-2H3/b18-12-,25-20-
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| InChIKey |
PEGPVTBAMDVJHL-NQMSZFHHSA-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