General Information of the Compound
| Compound ID |
CP0455325
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| Compound Name |
7-fluoro-4-oxo-N-[(1R,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C20H23FN2O2
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| Molecular Weight |
342.414
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| Canonical SMILES |
CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cnc2cc(F)ccc2c1O
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| InChI |
InChI=1S/C20H23FN2O2/c1-19(2)11-6-7-20(3,9-11)18(19)23-17(25)14-10-22-15-8-12(21)4-5-13(15)16(14)24/h4-5,8,10-11,18H,6-7,9H2,1-3H3,(H,22,24)(H,23,25)/t11?,18-,20-/m1/s1
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| InChIKey |
VBTVWXNUTAZMAY-BPHOSAEJSA-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