General Information of the Compound
| Compound ID |
CP0960869
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| Compound Name |
(Z)-5-(4-((1H-benzo[d]imidazol-2-yl)thio)benzylidene)-3-isopropylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C20H17N3O2S2
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| Molecular Weight |
395.509
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| Canonical SMILES |
CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)cc2)C1=O
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| InChI |
InChI=1S/C20H17N3O2S2/c1-12(2)23-18(24)17(27-20(23)25)11-13-7-9-14(10-8-13)26-19-21-15-5-3-4-6-16(15)22-19/h3-12H,1-2H3,(H,21,22)/b17-11-
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| InChIKey |
WDMVAODTDGSJQZ-BOPFTXTBSA-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