General Information of the Compound
| Compound ID |
CP0862390
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| Compound Name |
N-(2-thioxoimidazolidine-1-carbothioyl)-4-methoxybenzamide
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| Structure |
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| Formula |
C12H13N3O2S2
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| Molecular Weight |
295.389
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| Canonical SMILES |
COc1ccc(C(=O)NC(=S)N2CCNC2=S)cc1
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| InChI |
InChI=1S/C12H13N3O2S2/c1-17-9-4-2-8(3-5-9)10(16)14-12(19)15-7-6-13-11(15)18/h2-5H,6-7H2,1H3,(H,13,18)(H,14,16,19)
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| InChIKey |
KBWNPDZVGYRUGA-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