General Information of the Compound
| Compound ID |
CP0893220
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| Compound Name |
(E,Z)-5-((5-(1-Oxo-1,3-dihydroisobenzofuran-5-yl)pyridin-2-yl)methylene)-2-thioxoimidazolidin-4-one
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| Structure |
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| Formula |
C17H11N3O3S
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| Molecular Weight |
337.36
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| Canonical SMILES |
O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)cn1
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| InChI |
InChI=1S/C17H11N3O3S/c21-15-14(19-17(24)20-15)6-12-3-1-10(7-18-12)9-2-4-13-11(5-9)8-23-16(13)22/h1-7H,8H2,(H2,19,20,21,24)/b14-6+
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| InChIKey |
MWYPNSDHJVPHFQ-MKMNVTDBSA-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