General Information of the Compound
| Compound ID |
CP0233015
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| Compound Name |
1-[2-(4-chlorophenyl)ethyl]-3-(4-nitrophenyl)thiourea
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| Structure |
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| Formula |
C15H14ClN3O2S
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| Molecular Weight |
335.816
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C15H14ClN3O2S/c16-12-3-1-11(2-4-12)9-10-17-15(22)18-13-5-7-14(8-6-13)19(20)21/h1-8H,9-10H2,(H2,17,18,22)
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| InChIKey |
VHWMYOVHNKVDMK-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