General Information of the Compound
| Compound ID |
CP0568259
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| Compound Name |
5-bromo-1-[3-[4-[3-[5-bromo-3-(cycloheptanecarbonylamino)-4-methyl-2-oxopyridin-1-yl]propyl]triazol-1-yl]propyl]-N-cycloheptyl-6-methyl-2-oxopyridine-3-carboxamide
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| Structure |
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| Formula |
C36H49Br2N7O4
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| Molecular Weight |
803.641
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| Canonical SMILES |
Cc1c(Br)cn(CCCc2cn(CCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1
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| InChI |
InChI=1S/C36H49Br2N7O4/c1-24-31(38)23-43(36(49)32(24)40-33(46)26-13-7-3-4-8-14-26)18-11-17-28-22-44(42-41-28)19-12-20-45-25(2)30(37)21-29(35(45)48)34(47)39-27-15-9-5-6-10-16-27/h21-23,26-27H,3-20H2,1-2H3,(H,39,47)(H,40,46)
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| InChIKey |
IVYCEOKSLCHODE-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