General Information of the Compound
| Compound ID |
CP0453796
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| Compound Name |
5-{[(3,5-difluorophenyl)methyl]amino}-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-a]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C22H20F2N6O3
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| Molecular Weight |
454.437
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| Canonical SMILES |
COc1cc(Nc2nc(NCc3cc(F)cc(F)c3)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C22H20F2N6O3/c1-32-16-8-15(9-17(10-16)33-2)28-20-18(19(25)31)21-26-3-4-30(21)22(29-20)27-11-12-5-13(23)7-14(24)6-12/h3-10,28H,11H2,1-2H3,(H2,25,31)(H,27,29)
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| InChIKey |
WDHMIVYBPPHCDV-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