General Information of the Compound
| Compound ID |
CP0551189
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| Compound Name |
CHEMBL4871192
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| Formula |
C26H23N5O3
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| Molecular Weight |
453.502
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| Canonical SMILES |
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C26H23N5O3/c1-2-22(32)30-14-12-17(13-15-30)21-16-28-31-24(25(27)33)23(29-26(21)31)18-8-10-20(11-9-18)34-19-6-4-3-5-7-19/h1,3-11,16-17,29H,12-15H2,(H2,27,33)
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| InChIKey |
YGPHJRJCXOYFAN-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: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01308, Tyrosine-protein kinase BTK
Protein ID: PT01314, Tyrosine-protein kinase ITK/TSK
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000003 | Ramos | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 27.4 nM
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TI
LI
LO
TS
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