General Information of the Compound
| Compound ID |
CP0550907
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| Compound Name |
4-cyclopropyl-2-[(2,3-difluorophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C15H11F2N3OS
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| Molecular Weight |
319.336
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| Canonical SMILES |
Oc1nc(CSc2cccc(F)c2F)nc(C2CC2)c1C#N
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| InChI |
InChI=1S/C15H11F2N3OS/c16-10-2-1-3-11(13(10)17)22-7-12-19-14(8-4-5-8)9(6-18)15(21)20-12/h1-3,8H,4-5,7H2,(H,19,20,21)
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| InChIKey |
SIFLCNXVVIKIFX-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