General Information of the Compound
| Compound ID |
CP0453384
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| Compound Name |
7-fluoro-1-[(3-methylphenyl)methyl]-4-oxo-N-[(1R,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C28H31FN2O2
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| Molecular Weight |
446.566
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| Canonical SMILES |
Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(F)cc23)c1
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| InChI |
InChI=1S/C28H31FN2O2/c1-17-6-5-7-18(12-17)15-31-16-22(24(32)21-9-8-20(29)13-23(21)31)25(33)30-26-27(2,3)19-10-11-28(26,4)14-19/h5-9,12-13,16,19,26H,10-11,14-15H2,1-4H3,(H,30,33)/t19?,26-,28-/m1/s1
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| InChIKey |
PPAGNEOHDUNLGU-OZPSJDSCSA-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