General Information of the Compound
| Compound ID |
CP0390612
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| Compound Name |
(E)-4-(dimethylamino)-N-[4-(4-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
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| Structure |
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| Formula |
C24H25FN6O
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| Molecular Weight |
432.503
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| Canonical SMILES |
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3ccc(F)cc3C)c3cncn3c2c1
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| InChI |
InChI=1S/C24H25FN6O/c1-16-12-17(25)7-9-19(16)27-24-22-14-26-15-31(22)21-13-18(8-10-20(21)28-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+
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| InChIKey |
XWNLNQBHNYURJW-AATRIKPKSA-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: PT01308, Tyrosine-protein kinase BTK
Protein ID: PT00875, Tyrosine-protein kinase Lyn