General Information of the Compound
| Compound ID |
CP0509351
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| Compound Name |
2-(cycloheptylmethoxy)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C20H23F3N2O3S
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| Molecular Weight |
428.476
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OCC2CCCCCC2)n1)C(F)(F)F
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| InChI |
InChI=1S/C20H23F3N2O3S/c1-29(26,27)16-10-8-15(9-11-16)17-12-18(20(21,22)23)25-19(24-17)28-13-14-6-4-2-3-5-7-14/h8-12,14H,2-7,13H2,1H3
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| InChIKey |
GKASZAVIUZRNED-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