General Information of the Compound
| Compound ID |
CP0122613
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| Compound Name |
1-(4-chlorophenyl)-3-(5-nitro-3-thienyl)urea
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| Structure |
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| Formula |
C11H8ClN3O3S
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| Molecular Weight |
297.723
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| Canonical SMILES |
[O-][N+](=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)cs1
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| InChI |
InChI=1S/C11H8ClN3O3S/c12-7-1-3-8(4-2-7)13-11(16)14-9-5-10(15(17)18)19-6-9/h1-6H,(H2,13,14,16)
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| InChIKey |
YPKBXXGFNVFZKJ-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3