General Information of the Compound
| Compound ID |
CP0406459
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| Compound Name |
(E)-N-[4-(2-chloroanilino)-7-fluoroimidazo[1,5-a]quinoxalin-8-yl]-4-(dimethylamino)-N-methylbut-2-enamide
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| Structure |
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| Formula |
C23H22ClFN6O
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| Molecular Weight |
452.921
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| Canonical SMILES |
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1Cl)c1cncn21
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| InChI |
InChI=1S/C23H22ClFN6O/c1-29(2)10-6-9-22(32)30(3)19-12-20-18(11-16(19)25)28-23(21-13-26-14-31(20)21)27-17-8-5-4-7-15(17)24/h4-9,11-14H,10H2,1-3H3,(H,27,28)/b9-6+
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| InChIKey |
SJNDZCBRJXLVCY-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