General Information of the Compound
| Compound ID |
CP0540605
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| Compound Name |
(2E,5Z)-3-[2-(dimethylamino)ethyl]-5-[(4-hydroxyphenyl)methylidene]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C22H21N3O3S
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| Molecular Weight |
407.495
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| Canonical SMILES |
CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1\C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C22H21N3O3S/c1-24(2)11-12-25-21(28)18(13-14-7-9-15(26)10-8-14)29-22(25)19-16-5-3-4-6-17(16)23-20(19)27/h3-10,13,26H,11-12H2,1-2H3,(H,23,27)/b18-13-,22-19+
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| InChIKey |
ANNKVZXRHJWDKI-JXOBNOEMSA-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