General Information of the Compound
| Compound ID |
CP0031672
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| Compound Name |
N-[4-[8-(6-methoxypyridin-3-yl)-2-oxo-[1]benzofuro[3,2-b]pyridin-1-yl]phenyl]-2-morpholin-4-ylacetamide
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| Structure |
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| Formula |
C29H26N4O5
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| Molecular Weight |
510.55
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)CN5CCOCC5)cc4)c3c2c1
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| InChI |
InChI=1S/C29H26N4O5/c1-36-27-10-3-20(17-30-27)19-2-8-24-23(16-19)29-25(38-24)9-11-28(35)33(29)22-6-4-21(5-7-22)31-26(34)18-32-12-14-37-15-13-32/h2-11,16-17H,12-15,18H2,1H3,(H,31,34)
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| InChIKey |
UXOJCHAFXXSHOG-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
Cell Viability or Cytotoxicity Assay