General Information of the Compound
| Compound ID |
CP0086424
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| Compound Name |
CHEMBL4064608
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| Formula |
C21H31N5O2
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| Molecular Weight |
385.512
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| Canonical SMILES |
C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12
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| InChI |
InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-
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| InChIKey |
DJVYXMINSBMUHH-QAQDUYKDSA-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: PT01030, Dual specificity protein kinase CLK1
Protein ID: PT01394, Dual specificity protein kinase CLK2
Protein ID: PT01137, Dual specificity protein kinase CLK3
Protein ID: PT01400, Dual specificity protein kinase CLK4
Protein ID: PT01422, Interleukin-1 receptor-associated kinase 1
Protein ID: PT00821, Interleukin-1 receptor-associated kinase 4
Protein ID: PT02144, Serine/threonine-protein kinase haspin