General Information of the Compound
| Compound ID |
CP0509354
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| Compound Name |
N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C18H23N3O2S
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| Molecular Weight |
345.468
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| Canonical SMILES |
Cc1cnc(NC2CCCCC2)nc1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H23N3O2S/c1-13-12-19-18(20-15-6-4-3-5-7-15)21-17(13)14-8-10-16(11-9-14)24(2,22)23/h8-12,15H,3-7H2,1-2H3,(H,19,20,21)
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| InChIKey |
KDARJRDZANDUKK-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