General Information of the Compound
| Compound ID |
CP0385632
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| Compound Name |
4-(4-chlorophenyl)-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C18H10ClF2N3OS
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| Molecular Weight |
389.814
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| Canonical SMILES |
Oc1nc(SCc2cccc(F)c2F)nc(-c2ccc(Cl)cc2)c1C#N
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| InChI |
InChI=1S/C18H10ClF2N3OS/c19-12-6-4-10(5-7-12)16-13(8-22)17(25)24-18(23-16)26-9-11-2-1-3-14(20)15(11)21/h1-7H,9H2,(H,23,24,25)
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| InChIKey |
QMBOIESHMNWSCY-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