General Information of the Compound
| Compound ID |
CP0060475
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| Compound Name |
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea
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| Structure |
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| Formula |
C13H9Cl3N2O
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| Molecular Weight |
315.587
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
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| InChIKey |
ICUTUKXCWQYESQ-UHFFFAOYSA-N
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| CAS |
101-20-2
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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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3