General Information of the Compound
| Compound ID |
CP0425255
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| Compound Name |
methyl 2-(adamantane-1-carbonylamino)-5-pentyl-4-phenylthiophene-3-carboxylate
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| Structure |
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| Formula |
C28H35NO3S
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| Molecular Weight |
465.659
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| Canonical SMILES |
CCCCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1-c1ccccc1
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| InChI |
InChI=1S/C28H35NO3S/c1-3-4-6-11-22-23(21-9-7-5-8-10-21)24(26(30)32-2)25(33-22)29-27(31)28-15-18-12-19(16-28)14-20(13-18)17-28/h5,7-10,18-20H,3-4,6,11-17H2,1-2H3,(H,29,31)
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| InChIKey |
HZFYQXWQINHBPS-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