General Information of the Compound
| Compound ID |
CP0551070
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| Compound Name |
CHEMBL4878090
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| Formula |
C27H25N5O3
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| Molecular Weight |
467.529
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| Canonical SMILES |
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H25N5O3/c1-2-6-23(33)31-15-13-18(14-16-31)22-17-29-32-25(26(28)34)24(30-27(22)32)19-9-11-21(12-10-19)35-20-7-4-3-5-8-20/h3-5,7-12,17-18,30H,13-16H2,1H3,(H2,28,34)
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| InChIKey |
ZZQMSKHNPZIQCU-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