General Information of the Compound
| Compound ID |
CP0528890
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| Compound Name |
(2E,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1\C(=O)Nc2ccc(C)cc12
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| InChI |
InChI=1S/C23H23N3O3S/c1-14-4-9-18-17(12-14)20(21(28)24-18)23-26(11-10-25(2)3)22(29)19(30-23)13-15-5-7-16(27)8-6-15/h4-9,12-13,27H,10-11H2,1-3H3,(H,24,28)/b19-13-,23-20+
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| InChIKey |
MTKOPYHQVJUTSC-WOOQYTSTSA-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