General Information of the Compound
| Compound ID |
CP0538473
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| Compound Name |
CHEMBL4857353
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| Formula |
C26H21F2N5O3
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| Molecular Weight |
489.482
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| Canonical SMILES |
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2F)cc1
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| InChI |
InChI=1S/C26H21F2N5O3/c1-2-22(34)32-11-9-15(10-12-32)19-14-30-33-24(25(29)35)23(31-26(19)33)16-3-6-18(7-4-16)36-21-8-5-17(27)13-20(21)28/h1,3-8,13-15,31H,9-12H2,(H2,29,35)
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| InChIKey |
HGXKBKYPMMTKKK-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