General Information of the Compound
| Compound ID |
CP0549768
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| Compound Name |
CHEMBL4869409
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| Formula |
C26H22FN5O3
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| Molecular Weight |
471.492
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| Canonical SMILES |
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccccc2F)cc1
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| InChI |
InChI=1S/C26H22FN5O3/c1-2-22(33)31-13-11-16(12-14-31)19-15-29-32-24(25(28)34)23(30-26(19)32)17-7-9-18(10-8-17)35-21-6-4-3-5-20(21)27/h1,3-10,15-16,30H,11-14H2,(H2,28,34)
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| InChIKey |
VOUOPUKEZYZDGH-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