General Information of the Compound
| Compound ID |
CP0423298
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| Compound Name |
4-aminopyrazolylpyrimidine analogue, 10k
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| Structure |
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| Formula |
C18H18BrFN6
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| Molecular Weight |
417.286
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| Canonical SMILES |
C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H18BrFN6/c1-10(11-4-6-13(20)7-5-11)22-18-21-9-14(19)17(24-18)23-16-8-15(25-26-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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| InChIKey |
BJULBAQIZYUYFI-JTQLQIEISA-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