General Information of the Compound
| Compound ID |
CP0538991
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| Compound Name |
5-[[4-[2-[1,3-benzothiazol-2-yl(propan-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C22H23N3O3S2
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| Molecular Weight |
441.578
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| Canonical SMILES |
CC(C)N(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccccc2s1
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| InChI |
InChI=1S/C22H23N3O3S2/c1-14(2)25(21-23-17-5-3-4-6-18(17)29-21)11-12-28-16-9-7-15(8-10-16)13-19-20(26)24-22(27)30-19/h3-10,14,19H,11-13H2,1-2H3,(H,24,26,27)
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| InChIKey |
XPICPMLLPSXQEL-UHFFFAOYSA-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