General Information of the Compound
| Compound ID |
CP0463579
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| Compound Name |
2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-phenylpyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C22H20F2N4OS
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| Molecular Weight |
426.492
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| Canonical SMILES |
CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc(-c2ccccc2)c1C#N
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| InChI |
InChI=1S/C22H20F2N4OS/c1-22(2,13-29)28-20-16(11-25)19(14-7-4-3-5-8-14)26-21(27-20)30-12-15-9-6-10-17(23)18(15)24/h3-10,29H,12-13H2,1-2H3,(H,26,27,28)
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| InChIKey |
RGWHRJVENAGRJB-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