General Information of the Compound
| Compound ID |
CP0579944
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| Compound Name |
2-(3,5-dimethylphenyl)-6-fluoro-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C14H12FN3OS
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| Molecular Weight |
289.335
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1nn2c(nc(C)c(F)c2=O)s1
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| InChI |
InChI=1S/C14H12FN3OS/c1-7-4-8(2)6-10(5-7)12-17-18-13(19)11(15)9(3)16-14(18)20-12/h4-6H,1-3H3
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| InChIKey |
FKVUUBCMBTVQQJ-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