General Information of the Compound
| Compound ID |
CP0477777
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| Compound Name |
2-(4-phenylbutylsulfanyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C15H15F3N2OS
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| Molecular Weight |
328.359
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| Canonical SMILES |
Oc1cc(nc(SCCCCc2ccccc2)n1)C(F)(F)F
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| InChI |
InChI=1S/C15H15F3N2OS/c16-15(17,18)12-10-13(21)20-14(19-12)22-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,19,20,21)
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| InChIKey |
WPUYMIJVZPCINX-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