General Information of the Compound
| Compound ID |
CP0423730
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| Compound Name |
4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-a]pyrimidin-5-yl}amino)methyl]benzoic acid
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| Structure |
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| Formula |
C23H22N6O5
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| Molecular Weight |
462.466
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| Canonical SMILES |
COc1cc(Nc2nc(NCc3ccc(cc3)C(O)=O)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C23H22N6O5/c1-33-16-9-15(10-17(11-16)34-2)27-20-18(19(24)30)21-25-7-8-29(21)23(28-20)26-12-13-3-5-14(6-4-13)22(31)32/h3-11,27H,12H2,1-2H3,(H2,24,30)(H,26,28)(H,31,32)
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| InChIKey |
XLQAOMGZOHXTTH-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