General Information of the Compound
| Compound ID |
CP0485344
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| Compound Name |
2-(cyclohexylamino)-6-(4-(methylsulfonyl)phenyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C18H22N4O3S
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| Molecular Weight |
374.466
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(NC2CCCCC2)n1)C(N)=O
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| InChI |
InChI=1S/C18H22N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-16(17(19)23)22-18(21-15)20-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H2,19,23)(H,20,21,22)
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| InChIKey |
BCMZXSHMAQFFQK-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