General Information of the Compound
| Compound ID |
CP0525044
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| Compound Name |
(E)-N-[4-(2-chloro-6-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-4-(dimethylamino)-N-methylbut-2-enamide
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| Structure |
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| Formula |
C24H25ClN6O
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| Molecular Weight |
448.958
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| Canonical SMILES |
CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1
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| InChI |
InChI=1S/C24H25ClN6O/c1-16-7-5-8-18(25)23(16)28-24-21-14-26-15-31(21)20-13-17(10-11-19(20)27-24)30(4)22(32)9-6-12-29(2)3/h5-11,13-15H,12H2,1-4H3,(H,27,28)/b9-6+
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| InChIKey |
YTSHBWDZKXHZDM-RMKNXTFCSA-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