General Information of the Compound
| Compound ID |
CP0440316
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| Compound Name |
N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
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| Structure |
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| Formula |
C26H28N6O3
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| Molecular Weight |
472.549
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| Canonical SMILES |
COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1NC(=O)C(=C)CN1CCOCC1
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| InChI |
InChI=1S/C26H28N6O3/c1-17-6-4-5-7-19(17)28-25-23-14-27-16-32(23)22-12-21(24(34-3)13-20(22)29-25)30-26(33)18(2)15-31-8-10-35-11-9-31/h4-7,12-14,16H,2,8-11,15H2,1,3H3,(H,28,29)(H,30,33)
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| InChIKey |
MJRCQYZPKKMPKZ-UHFFFAOYSA-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