General Information of the Compound
| Compound ID |
CP0538470
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| Compound Name |
CHEMBL4867893
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| Formula |
C25H21N5O4
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| Molecular Weight |
455.474
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| Canonical SMILES |
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CN(C2)C(=O)C#C)cc1
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| InChI |
InChI=1S/C25H21N5O4/c1-3-21(31)29-13-16(14-29)20-12-27-30-23(24(26)32)22(28-25(20)30)15-4-6-18(7-5-15)34-19-10-8-17(33-2)9-11-19/h1,4-12,16,28H,13-14H2,2H3,(H2,26,32)
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| InChIKey |
GUGCOQNZIOTJQQ-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