General Information of the Compound
| Compound ID |
CP0861660
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| Compound Name |
N-(2-thioxoimidazolidine-1-carbothioyl)-4-trifluoromethylbenzamide
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| Structure |
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| Formula |
C12H10F3N3OS2
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| Molecular Weight |
333.36
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| Canonical SMILES |
O=C(NC(=S)N1CCNC1=S)c1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C12H10F3N3OS2/c13-12(14,15)8-3-1-7(2-4-8)9(19)17-11(21)18-6-5-16-10(18)20/h1-4H,5-6H2,(H,16,20)(H,17,19,21)
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| InChIKey |
JVYMJLKIXVPYQH-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