General Information of the Compound
| Compound ID |
CP0955484
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| Compound Name |
(Z)-tert-butyl 2-(5-((5-((1H-benzo[d]imidazol-2-yl)thio)furan-2-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate
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| Structure |
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| Formula |
C21H19N3O5S2
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| Molecular Weight |
457.533
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| Canonical SMILES |
CC(C)(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O
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| InChI |
InChI=1S/C21H19N3O5S2/c1-21(2,3)29-16(25)11-24-18(26)15(30-20(24)27)10-12-8-9-17(28-12)31-19-22-13-6-4-5-7-14(13)23-19/h4-10H,11H2,1-3H3,(H,22,23)/b15-10-
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| InChIKey |
HYZPHHWSAVCHMU-GDNBJRDFSA-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