General Information of the Compound
| Compound ID |
CP0097255
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| Compound Name |
US9156845, 107
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| Structure |
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| Formula |
C17H18N4O
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| Molecular Weight |
294.358
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| Canonical SMILES |
Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
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| InChI |
InChI=1S/C17H18N4O/c1-12-3-2-4-13(9-12)14-10-18-16-15(14)17(20-11-19-16)21-5-7-22-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
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| InChIKey |
JMAPTHRNJHOVDP-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: PT01378, Leucine-rich repeat serine/threonine-protein kinase 2
Protein ID: PT01150, Serine/threonine-protein kinase 3
Protein ID: PT01768, Serine/threonine-protein kinase 4