General Information of the Compound
| Compound ID |
CP0500720
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| Compound Name |
1-ethenyl-7-fluoro-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 |
C22H25FN2O2
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| Molecular Weight |
368.452
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| Canonical SMILES |
CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(C=C)c2cc(F)ccc2c1=O
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| InChI |
InChI=1S/C22H25FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h5-7,10,12-13,20H,1,8-9,11H2,2-4H3,(H,24,27)/t13?,20-,22-/m1/s1
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| InChIKey |
DZYLBHVHVUMDOC-HVQVANDDSA-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