General Information of the Compound
| Compound ID |
CP0942644
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| Compound Name |
(Z)-3-isopropyl-5-((5-((6-isopropyl-1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C21H21N3O3S2
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| Molecular Weight |
427.551
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| Canonical SMILES |
CC(C)c1ccc2nc(Sc3ccc(/C=C4\SC(=O)N(C(C)C)C4=O)o3)[nH]c2c1
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| InChI |
InChI=1S/C21H21N3O3S2/c1-11(2)13-5-7-15-16(9-13)23-20(22-15)29-18-8-6-14(27-18)10-17-19(25)24(12(3)4)21(26)28-17/h5-12H,1-4H3,(H,22,23)/b17-10-
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| InChIKey |
YQRYRJKKXYXDDA-YVLHZVERSA-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