General Information of the Compound
| Compound ID |
CP0413574
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| Compound Name |
2-[(2,6-dichlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C18H11Cl2N3OS
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| Molecular Weight |
388.279
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| Canonical SMILES |
Oc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N
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| InChI |
InChI=1S/C18H11Cl2N3OS/c19-14-7-4-8-15(20)13(14)10-25-18-22-16(11-5-2-1-3-6-11)12(9-21)17(24)23-18/h1-8H,10H2,(H,22,23,24)
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| InChIKey |
ATFOXCZQSXAQSV-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