General Information of the Compound
| Compound ID |
CP0452137
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| Compound Name |
(1-(2-(Piperazin-1-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone Trifluoroacetic Acid
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| Structure |
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| Formula |
C22H31N3O
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| Molecular Weight |
353.51
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| Canonical SMILES |
CC1(C)C(C(=O)c2cn(CCN3CCNCC3)c3ccccc23)C1(C)C
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| InChI |
InChI=1S/C22H31N3O/c1-21(2)20(22(21,3)4)19(26)17-15-25(18-8-6-5-7-16(17)18)14-13-24-11-9-23-10-12-24/h5-8,15,20,23H,9-14H2,1-4H3
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| InChIKey |
QORGRCFIZLWIDX-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