General Information of the Compound
| Compound ID |
CP0457950
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| Compound Name |
2-N-[2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-3-yl]-5-methyl-4-N-[(2R)-3-methylbutan-2-yl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H30FN7
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| Molecular Weight |
399.518
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| Canonical SMILES |
CC(C)[C@@H](C)Nc1nc(Nc2cc(cnc2F)N2C[C@@H]3C[C@H]2CN3C)ncc1C
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| InChI |
InChI=1S/C21H30FN7/c1-12(2)14(4)25-20-13(3)8-24-21(27-20)26-18-7-15(9-23-19(18)22)29-11-16-6-17(29)10-28(16)5/h7-9,12,14,16-17H,6,10-11H2,1-5H3,(H2,24,25,26,27)/t14-,16+,17+/m1/s1
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| InChIKey |
GFUUFEUYGAMCSI-PVAVHDDUSA-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