General Information of the Compound
| Compound ID |
CP0947246
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| Compound Name |
2-[4-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]-5-methyl-1H-pyrazol-1-yl]-6-methylpyrimidin-4(3H)-one
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| Structure |
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| Formula |
C14H17N5O4S
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| Molecular Weight |
351.388
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| Canonical SMILES |
Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCS(=O)(=O)CC3)c2C)n1
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| InChI |
InChI=1S/C14H17N5O4S/c1-9-7-12(20)17-14(16-9)19-10(2)11(8-15-19)13(21)18-3-5-24(22,23)6-4-18/h7-8H,3-6H2,1-2H3,(H,16,17,20)
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| InChIKey |
GJNMCNSARCQUJP-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