General Information of the Compound
| Compound ID |
CP0399349
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| Compound Name |
(5Z)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one
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| Formula |
C21H25N3O2S
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| Molecular Weight |
383.517
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| Canonical SMILES |
COCC\N=C1/S\C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C
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| InChI |
InChI=1S/C21H25N3O2S/c1-15-12-18(16(2)24(15)14-17-8-6-5-7-9-17)13-19-20(25)23(3)21(27-19)22-10-11-26-4/h5-9,12-13H,10-11,14H2,1-4H3/b19-13-,22-21-
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| InChIKey |
LSERAJDQIVQLQK-DPBNUBQISA-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