General Information of the Compound
| Compound ID |
CP0294743
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| Compound Name |
(5Z)-5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C20H21N3O3S
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| Molecular Weight |
383.473
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| Canonical SMILES |
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C20H21N3O3S/c1-13-11-15(12-18-19(24)21-20(25)27-18)14(2)23(13)17-5-3-16(4-6-17)22-7-9-26-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,24,25)/b18-12-
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| InChIKey |
AXIRJHLOCNKGFU-PDGQHHTCSA-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