General Information of the Compound
| Compound ID |
CP0433233
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| Compound Name |
(E)-4-(dimethylamino)-N-ethyl-N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide
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| Structure |
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| Formula |
C26H30N6O2
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| Molecular Weight |
458.566
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| Canonical SMILES |
CCN(C(=O)\C=C\CN(C)C)c1cc2c(cc1OC)nc(Nc1ccccc1C)c1cncn21
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| InChI |
InChI=1S/C26H30N6O2/c1-6-31(25(33)12-9-13-30(3)4)22-15-21-20(14-24(22)34-5)29-26(23-16-27-17-32(21)23)28-19-11-8-7-10-18(19)2/h7-12,14-17H,6,13H2,1-5H3,(H,28,29)/b12-9+
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| InChIKey |
OJZKUAGKHXFNTK-FMIVXFBMSA-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