General Information of the Compound
| Compound ID |
CP0426539
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| Compound Name |
(5Z)-5-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C20H22N2O2S
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| Molecular Weight |
354.475
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| Canonical SMILES |
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C20H22N2O2S/c1-12-10-14(11-17-18(23)21-19(24)25-17)13(2)22(12)16-8-6-15(7-9-16)20(3,4)5/h6-11H,1-5H3,(H,21,23,24)/b17-11-
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| InChIKey |
FOONSDURONQDMT-BOPFTXTBSA-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