General Information of the Compound
| Compound ID |
CP0399913
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| Compound Name |
3-(4-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-8,8-dimethyl-5,6,7,8-tetrahydroquinoline
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| Structure |
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| Formula |
C24H26ClFN4O
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| Molecular Weight |
440.95
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| Canonical SMILES |
CC1(C)CCCc2cc(cnc12)N1CCC(CC1)c1nc(no1)-c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C24H26ClFN4O/c1-24(2)9-3-4-16-12-18(14-27-21(16)24)30-10-7-15(8-11-30)23-28-22(29-31-23)19-6-5-17(26)13-20(19)25/h5-6,12-15H,3-4,7-11H2,1-2H3
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| InChIKey |
XKWHUGFGOHOFTE-UHFFFAOYSA-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