General Information of the Compound
| Compound ID |
CP0453797
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| Compound Name |
5-[(1H-1,3-benzodiazol-2-ylmethyl)amino]-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-a]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C23H22N8O3
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| Molecular Weight |
458.482
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| Canonical SMILES |
COc1cc(Nc2nc(NCc3nc4ccccc4[nH]3)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C23H22N8O3/c1-33-14-9-13(10-15(11-14)34-2)27-21-19(20(24)32)22-25-7-8-31(22)23(30-21)26-12-18-28-16-5-3-4-6-17(16)29-18/h3-11,27H,12H2,1-2H3,(H2,24,32)(H,26,30)(H,28,29)
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| InChIKey |
YAHDMQIBYYGVOS-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