General Information of the Compound
| Compound ID |
CP0393332
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| Compound Name |
7-fluoro-1-(4-hydroxybutyl)-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 |
C24H31FN2O3
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| Molecular Weight |
414.521
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| Canonical SMILES |
CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(F)ccc2c1=O
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| InChI |
InChI=1S/C24H31FN2O3/c1-23(2)15-8-9-24(3,13-15)22(23)26-21(30)18-14-27(10-4-5-11-28)19-12-16(25)6-7-17(19)20(18)29/h6-7,12,14-15,22,28H,4-5,8-11,13H2,1-3H3,(H,26,30)/t15?,22-,24-/m1/s1
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| InChIKey |
DCAQOIFRIIZYDR-FYYUSBCQSA-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