General Information of the Compound
| Compound ID |
CP0873652
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| Compound Name |
5-(4-nitrobenzylidene)-2-thioxoimidazolidin-4-one
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| Structure |
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| Formula |
C10H7N3O3S
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| Molecular Weight |
249.251
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| Canonical SMILES |
O=C1NC(=S)N/C1=C/c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C10H7N3O3S/c14-9-8(11-10(17)12-9)5-6-1-3-7(4-2-6)13(15)16/h1-5H,(H2,11,12,14,17)/b8-5+
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| InChIKey |
BVELKCKHIGDJDW-VMPITWQZSA-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