General Information of the Compound
| Compound ID |
CP0503876
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| Compound Name |
2-[3-[6-[(2,2-difluoro-2-phenylethyl)amino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C23H23F2N3O3
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| Molecular Weight |
427.451
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| Canonical SMILES |
COc1nc(NCC(F)(F)c2ccccc2)cc(n1)-c1cccc(c1)C(C)(C)C(O)=O
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| InChI |
InChI=1S/C23H23F2N3O3/c1-22(2,20(29)30)17-11-7-8-15(12-17)18-13-19(28-21(27-18)31-3)26-14-23(24,25)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3,(H,29,30)(H,26,27,28)
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| InChIKey |
MUJSAJMEUKIZNS-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