General Information of the Compound
| Compound ID |
CP0379277
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| Compound Name |
4-cyclopropyl-6-oxo-2-(2-phenylpropan-2-ylsulfanyl)-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C17H17N3OS
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| Molecular Weight |
311.41
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| Canonical SMILES |
CC(C)(Sc1nc(O)c(C#N)c(n1)C1CC1)c1ccccc1
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| InChI |
InChI=1S/C17H17N3OS/c1-17(2,12-6-4-3-5-7-12)22-16-19-14(11-8-9-11)13(10-18)15(21)20-16/h3-7,11H,8-9H2,1-2H3,(H,19,20,21)
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| InChIKey |
XIJWSHQVKGUTRE-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