General Information of the Compound
| Compound ID |
CP0427905
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| Compound Name |
4-hydroxy-2-(4-phenylbutylsulfanyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C14H16N2O2S
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| Molecular Weight |
276.361
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| Canonical SMILES |
Oc1cc(O)nc(SCCCCc2ccccc2)n1
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| InChI |
InChI=1S/C14H16N2O2S/c17-12-10-13(18)16-14(15-12)19-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,15,16,17,18)
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| InChIKey |
LABYUMHKNMNLQJ-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