General Information of the Compound
| Compound ID |
CP0496077
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| Compound Name |
(5Z)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
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| Formula |
C17H18N4OS
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| Molecular Weight |
326.425
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| Canonical SMILES |
C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccn2)C(=O)N1C
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| InChI |
InChI=1S/C17H18N4OS/c1-11-9-13(10-14-16(22)20(4)17(18-3)23-14)12(2)21(11)15-7-5-6-8-19-15/h5-10H,1-4H3/b14-10-,18-17-
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| InChIKey |
MQUPOPLSHSCSGG-GVXDGLBUSA-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