General Information of the Compound
| Compound ID |
CP0957749
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| Compound Name |
(Z)-methyl 2-(5-((3-isopropyl-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-ylthio)-1H-benzo[d]imidazole-6-carboxylate
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| Structure |
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| Formula |
C20H17N3O5S2
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| Molecular Weight |
443.506
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| Canonical SMILES |
COC(=O)c1ccc2nc(Sc3ccc(/C=C4\SC(=O)N(C(C)C)C4=O)o3)[nH]c2c1
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| InChI |
InChI=1S/C20H17N3O5S2/c1-10(2)23-17(24)15(29-20(23)26)9-12-5-7-16(28-12)30-19-21-13-6-4-11(18(25)27-3)8-14(13)22-19/h4-10H,1-3H3,(H,21,22)/b15-9-
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| InChIKey |
NNBGAJWKVDTIBX-DHDCSXOGSA-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