General Information of the Compound
| Compound ID |
CP0428840
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| Compound Name |
2-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H22N4O2S
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| Molecular Weight |
346.456
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(N)nc(NC2CCCCC2)n1
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| InChI |
InChI=1S/C17H22N4O2S/c1-24(22,23)14-9-7-12(8-10-14)15-11-16(18)21-17(20-15)19-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H3,18,19,20,21)
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| InChIKey |
XHFPTFARONXDBM-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: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2