General Information of the Compound
| Compound ID |
CP0279700
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| Compound Name |
3-(chloromethyl)-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]naphthyridine
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| Structure |
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| Formula |
C35H30ClN9
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| Molecular Weight |
612.141
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| Canonical SMILES |
ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42)
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| InChIKey |
LYZNFELLVFJDML-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase