General Information of the Compound
| Compound ID |
CP0568105
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| Compound Name |
5-bromo-1-[5-[4-[3-[5-bromo-3-(cycloheptanecarbonylamino)-4-methyl-2-oxopyridin-1-yl]propyl]triazol-1-yl]pentyl]-N-cycloheptyl-6-methyl-2-oxopyridine-3-carboxamide
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| Structure |
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| Formula |
C38H53Br2N7O4
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| Molecular Weight |
831.695
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| Canonical SMILES |
Cc1c(Br)cn(CCCc2cn(CCCCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1
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| InChI |
InChI=1S/C38H53Br2N7O4/c1-26-33(40)25-45(38(51)34(26)42-35(48)28-15-8-3-4-9-16-28)20-14-19-30-24-46(44-43-30)21-12-7-13-22-47-27(2)32(39)23-31(37(47)50)36(49)41-29-17-10-5-6-11-18-29/h23-25,28-29H,3-22H2,1-2H3,(H,41,49)(H,42,48)
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| InChIKey |
XKLDAFLDOWXEFH-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: PT00834, Cannabinoid receptor 2