General Information of the Compound
| Compound ID |
CP0576698
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| Compound Name |
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(1-methyl-2-oxopiperidin-4-yl)-2-propylimino-1,3-thiazolidin-4-one
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| Formula |
C19H22ClN3O3S
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| Molecular Weight |
407.923
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CCN(C)C(=O)C1
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| InChI |
InChI=1S/C19H22ClN3O3S/c1-3-7-21-19-23(13-6-8-22(2)17(25)11-13)18(26)16(27-19)10-12-4-5-15(24)14(20)9-12/h4-5,9-10,13,24H,3,6-8,11H2,1-2H3/b16-10-,21-19-
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| InChIKey |
SLGLODMBJPERLD-STCVOBJUSA-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