General Information of the Compound
| Compound ID |
CP0405615
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| Compound Name |
6-bromo-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)-1,4-dihydroquinoline-3-carboxamide
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| Structure |
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| Formula |
C25H33BrN2O2
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| Molecular Weight |
473.455
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| Canonical SMILES |
CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(Br)ccc12
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| InChI |
InChI=1S/C25H33BrN2O2/c1-5-6-7-12-28-15-19(21(29)18-13-17(26)8-9-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16-,23-,25+/m0/s1
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| InChIKey |
RCGMCIFWNJOPIY-GVHPLLPZSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2