General Information of the Compound
| Compound ID |
CP0500477
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| Compound Name |
(5Z)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
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| Formula |
C19H21N3OS
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| Molecular Weight |
339.464
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| Canonical SMILES |
C\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C
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| InChI |
InChI=1S/C19H21N3OS/c1-13-10-16(11-17-18(23)21(4)19(20-3)24-17)14(2)22(13)12-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3/b17-11-,20-19-
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| InChIKey |
LTAFWGFYLPUWRU-WGZDZCCCSA-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