General Information of the Compound
| Compound ID |
CP0105070
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| Compound Name |
2-(4-methylsulfonylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C14H14N2O4S
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| Molecular Weight |
306.343
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
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| InChI |
InChI=1S/C14H14N2O4S/c1-21(18,19)10-4-2-9(3-5-10)13-15-12-6-7-20-8-11(12)14(17)16-13/h2-5H,6-8H2,1H3,(H,15,16,17)
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| InChIKey |
OJRLUQCPXMEYOI-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