General Information of the Compound
| Compound ID |
CP0505302
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| Compound Name |
(Furan-2-carbonyl)-(4-nitro-phenyl)-thiocarbamic acid O-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl] ester
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| Structure |
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| Formula |
C22H15N3O7S
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| Molecular Weight |
465.443
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccco1
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| InChI |
InChI=1S/C22H15N3O7S/c26-19-16-4-1-2-5-17(16)20(27)23(19)11-13-32-22(33)24(21(28)18-6-3-12-31-18)14-7-9-15(10-8-14)25(29)30/h1-10,12H,11,13H2
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| InChIKey |
HJSOECIXKGLCGH-UHFFFAOYSA-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