General Information of the Compound
| Compound ID |
CP0550906
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| Compound Name |
2-benzylsulfanyl-4-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C15H13N3OS
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| Molecular Weight |
283.356
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| Canonical SMILES |
Oc1nc(SCc2ccccc2)nc(C2CC2)c1C#N
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| InChI |
InChI=1S/C15H13N3OS/c16-8-12-13(11-6-7-11)17-15(18-14(12)19)20-9-10-4-2-1-3-5-10/h1-5,11H,6-7,9H2,(H,17,18,19)
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| InChIKey |
SCMGANIBWSCDMT-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