General Information of the Compound
| Compound ID |
CP0453283
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| Compound Name |
(2E,5Z)-3-[2-(dimethylamino)ethyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C22H20FN3O3S
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| Molecular Weight |
425.485
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| Canonical SMILES |
CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1\C(=O)Nc2cc(F)ccc12
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| InChI |
InChI=1S/C22H20FN3O3S/c1-25(2)9-10-26-21(29)18(11-13-3-6-15(27)7-4-13)30-22(26)19-16-8-5-14(23)12-17(16)24-20(19)28/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,28)/b18-11-,22-19+
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| InChIKey |
HIVWAJJNTIWRRK-MDVSOGIQSA-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