General Information of the Compound
| Compound ID |
CP0561983
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| Compound Name |
3-amino-5-[4-[(4-methoxypyridin-2-yl)carbamoyl]phenyl]-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C25H27N7O4
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| Molecular Weight |
489.536
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| Canonical SMILES |
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n(N)c2C(N)=O)c1
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| InChI |
InChI=1S/C25H27N7O4/c1-3-20(33)31-13-5-4-6-18(31)24-30-21(22(23(26)34)32(24)27)15-7-9-16(10-8-15)25(35)29-19-14-17(36-2)11-12-28-19/h3,7-12,14,18H,1,4-6,13,27H2,2H3,(H2,26,34)(H,28,29,35)/t18-/m0/s1
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| InChIKey |
VVPLAYNPERQXNL-SFHVURJKSA-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: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01308, Tyrosine-protein kinase BTK
Protein ID: PT01314, Tyrosine-protein kinase ITK/TSK