General Information of the Compound
| Compound ID |
CP0961412
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| Compound Name |
(Z)-5-((6-((1H-benzo[d]imidazol-2-yl)thio)benzofuran-2-yl)methylene)-3-isopropylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C22H17N3O3S2
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| Molecular Weight |
435.53
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| Canonical SMILES |
CC(C)N1C(=O)S/C(=C\c2cc3ccc(Sc4nc5ccccc5[nH]4)cc3o2)C1=O
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| InChI |
InChI=1S/C22H17N3O3S2/c1-12(2)25-20(26)19(30-22(25)27)10-14-9-13-7-8-15(11-18(13)28-14)29-21-23-16-5-3-4-6-17(16)24-21/h3-12H,1-2H3,(H,23,24)/b19-10-
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| InChIKey |
MDRDYZOOUBFIEK-GRSHGNNSSA-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