General Information of the Compound
| Compound ID |
CP0909642
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| Compound Name |
sodium (Z)-2-(5-((5-(1H-benzo[d]imidazol-2-ylthio)furan-2-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate
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| Structure |
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| Formula |
C17H10N3NaO5S2
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| Molecular Weight |
423.407
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| Canonical SMILES |
O=C([O-])CN1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O.[Na+]
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| InChI |
InChI=1S/C17H11N3O5S2.Na/c21-13(22)8-20-15(23)12(26-17(20)24)7-9-5-6-14(25-9)27-16-18-10-3-1-2-4-11(10)19-16;/h1-7H,8H2,(H,18,19)(H,21,22);/q;+1/p-1/b12-7-;
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| InChIKey |
QEERFKDXCQFXDZ-OZLKFZLXSA-M
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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