General Information of the Compound
| Compound ID |
CP0566173
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| Compound Name |
4-cyclopentyl-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C17H15F2N3OS
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| Molecular Weight |
347.39
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| Canonical SMILES |
Oc1nc(SCc2cccc(F)c2F)nc(C2CCCC2)c1C#N
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| InChI |
InChI=1S/C17H15F2N3OS/c18-13-7-3-6-11(14(13)19)9-24-17-21-15(10-4-1-2-5-10)12(8-20)16(23)22-17/h3,6-7,10H,1-2,4-5,9H2,(H,21,22,23)
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| InChIKey |
KONQCJXYAZZYDA-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