General Information of the Compound
| Compound ID |
CP0049065
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| Compound Name |
ethyl (2E)-3-{4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-a]pyrimidin-5-yl}amino)methyl]phenyl}prop-2-enoate
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| Structure |
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| Formula |
C27H28N6O5
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| Molecular Weight |
516.558
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| Canonical SMILES |
CCOC(=O)\C=C\c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
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| InChI |
InChI=1S/C27H28N6O5/c1-4-38-22(34)10-9-17-5-7-18(8-6-17)16-30-27-32-25(23(24(28)35)26-29-11-12-33(26)27)31-19-13-20(36-2)15-21(14-19)37-3/h5-15,31H,4,16H2,1-3H3,(H2,28,35)(H,30,32)/b10-9+
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| InChIKey |
HIMWQCHCBXPDBE-MDZDMXLPSA-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