General Information of the Compound
| Compound ID |
CP0455246
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| Compound Name |
7-fluoro-1-(2-methoxyethyl)-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 |
C23H29FN2O3
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| Molecular Weight |
400.494
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| Canonical SMILES |
COCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12
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| InChI |
InChI=1S/C23H29FN2O3/c1-22(2)14-7-8-23(3,12-14)21(22)25-20(28)17-13-26(9-10-29-4)18-11-15(24)5-6-16(18)19(17)27/h5-6,11,13-14,21H,7-10,12H2,1-4H3,(H,25,28)/t14?,21-,23-/m1/s1
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| InChIKey |
YXRXOBOTFASVBH-QLXIDDQXSA-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