General Information of the Compound
| Compound ID |
CP0474701
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| Compound Name |
7-[(3,5-dimethoxyphenyl)amino]-5-{[(4-fluorophenyl)methyl]amino}imidazo[1,2-a]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C22H21FN6O3
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| Molecular Weight |
436.447
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| Canonical SMILES |
COc1cc(Nc2nc(NCc3ccc(F)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C22H21FN6O3/c1-31-16-9-15(10-17(11-16)32-2)27-20-18(19(24)30)21-25-7-8-29(21)22(28-20)26-12-13-3-5-14(23)6-4-13/h3-11,27H,12H2,1-2H3,(H2,24,30)(H,26,28)
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| InChIKey |
KLKNKPQIJSXRNP-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
Protein ID: PT02470, Lysine--tRNA ligase
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70