General Information of the Compound
| Compound ID |
CP0318762
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| Compound Name |
1-(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)urea
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| Structure |
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| Formula |
C35H31N11O
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| Molecular Weight |
621.709
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| Canonical SMILES |
NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C35H31N11O/c36-34(47)40-35-44-43-33-27-20-26(23-6-2-1-3-7-23)30(38-28(27)15-19-46(33)35)24-11-9-22(10-12-24)21-45-17-13-25(14-18-45)31-39-32(42-41-31)29-8-4-5-16-37-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,39,41,42)(H3,36,40,44,47)
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| InChIKey |
YTZVNXUWNDRIBW-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