General Information of the Compound
| Compound ID |
CP0553425
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| Compound Name |
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C23H24F3N5O2
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| Molecular Weight |
459.472
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(OC(F)(F)F)cc2)cn1
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| InChI |
InChI=1S/C23H24F3N5O2/c1-14-10-28-22(30-21(14)17-4-7-19(8-5-17)33-23(24,25)26)29-18-6-9-20(27-11-18)31-12-15(2)32-16(3)13-31/h4-11,15-16H,12-13H2,1-3H3,(H,28,29,30)/t15-,16+
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| InChIKey |
KWNMDOSFAGCWDL-IYBDPMFKSA-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