General Information of the Compound
| Compound ID |
CP0515395
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| Compound Name |
4-cyclopropyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C16H15N3OS
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| Molecular Weight |
297.383
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| Canonical SMILES |
CC(Sc1nc(O)c(C#N)c(n1)C1CC1)c1ccccc1
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| InChI |
InChI=1S/C16H15N3OS/c1-10(11-5-3-2-4-6-11)21-16-18-14(12-7-8-12)13(9-17)15(20)19-16/h2-6,10,12H,7-8H2,1H3,(H,18,19,20)
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| InChIKey |
NQQRNBOOGIMXDM-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