General Information of the Compound
| Compound ID |
CP0436030
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| Compound Name |
ethyl 3-oxo-6-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-1H-isoindole-2-carboxylate
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| Structure |
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| Formula |
C19H15N3O4S2
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| Molecular Weight |
413.48
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| Canonical SMILES |
CCOC(=O)N1Cc2cc(ccc2C1=O)-c1ccc(\C=C2\NC(=S)NC2=O)s1
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| InChI |
InChI=1S/C19H15N3O4S2/c1-2-26-19(25)22-9-11-7-10(3-5-13(11)17(22)24)15-6-4-12(28-15)8-14-16(23)21-18(27)20-14/h3-8H,2,9H2,1H3,(H2,20,21,23,27)/b14-8+
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| InChIKey |
PVHSBYVFVRQXQK-RIYZIHGNSA-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