General Information of the Compound
| Compound ID |
CP0386988
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| Compound Name |
methyl 2-(adamantane-1-carbonylamino)-5-phenylthiophene-3-carboxylate
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| Structure |
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| Formula |
C23H25NO3S
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| Molecular Weight |
395.524
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| Canonical SMILES |
COC(=O)c1cc(sc1NC(=O)C12CC3CC(CC(C3)C1)C2)-c1ccccc1
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| InChI |
InChI=1S/C23H25NO3S/c1-27-21(25)18-10-19(17-5-3-2-4-6-17)28-20(18)24-22(26)23-11-14-7-15(12-23)9-16(8-14)13-23/h2-6,10,14-16H,7-9,11-13H2,1H3,(H,24,26)
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| InChIKey |
HXLZHXBLBJSXOH-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