General Information of the Compound
| Compound ID |
CP0485345
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| Compound Name |
N-cyclohexyl-5-methyl-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C19H22F3N3O2S
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| Molecular Weight |
413.465
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| Canonical SMILES |
Cc1c(nc(NC2CCCCC2)nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H22F3N3O2S/c1-12-16(13-8-10-15(11-9-13)28(2,26)27)24-18(25-17(12)19(20,21)22)23-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,23,24,25)
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| InChIKey |
BALFQEDEMVBSPI-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