General Information of the Compound
| Compound ID |
CP0897906
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| Compound Name |
(E,Z)-1-Oxo-N-(3-(5-oxo-2-thioxoimidazolidin-4-ylidene)propyl)-1,3-dihydroisobenzofuran-5-carboxamide
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| Structure |
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| Formula |
C15H13N3O4S
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| Molecular Weight |
331.353
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| Canonical SMILES |
O=C1NC(=S)N/C1=C/CCNC(=O)c1ccc2c(c1)COC2=O
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| InChI |
InChI=1S/C15H13N3O4S/c19-12(8-3-4-10-9(6-8)7-22-14(10)21)16-5-1-2-11-13(20)18-15(23)17-11/h2-4,6H,1,5,7H2,(H,16,19)(H2,17,18,20,23)/b11-2+
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| InChIKey |
RUSXVRIPDMHINE-BIIKFXOESA-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