General Information of the Compound
| Compound ID |
CP0038911
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| Compound Name |
5-(benzylamino)-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-a]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C22H22N6O3
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| Molecular Weight |
418.457
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| Canonical SMILES |
COc1cc(Nc2nc(NCc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C22H22N6O3/c1-30-16-10-15(11-17(12-16)31-2)26-20-18(19(23)29)21-24-8-9-28(21)22(27-20)25-13-14-6-4-3-5-7-14/h3-12,26H,13H2,1-2H3,(H2,23,29)(H,25,27)
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| InChIKey |
GRRKTGVFONLPOF-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