General Information of the Compound
| Compound ID |
CP0353733
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| Compound Name |
2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl)methylamino)ethanol
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| Structure |
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| Formula |
C37H36N10O
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| Molecular Weight |
636.764
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| Canonical SMILES |
OCCNCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C37H36N10O/c48-21-17-38-23-33-42-45-37-30-22-29(26-6-2-1-3-7-26)34(40-31(30)15-20-47(33)37)27-11-9-25(10-12-27)24-46-18-13-28(14-19-46)35-41-36(44-43-35)32-8-4-5-16-39-32/h1-12,15-16,20,22,28,38,48H,13-14,17-19,21,23-24H2,(H,41,43,44)
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| InChIKey |
VAUFUYIXMLRDFA-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: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase