General Information of the Compound
| Compound ID |
CP0425252
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| Compound Name |
methyl 2-(adamantane-1-carbonylamino)thiophene-3-carboxylate
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| Structure |
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| Formula |
C17H21NO3S
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| Molecular Weight |
319.426
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| Canonical SMILES |
COC(=O)c1ccsc1NC(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C17H21NO3S/c1-21-15(19)13-2-3-22-14(13)18-16(20)17-7-10-4-11(8-17)6-12(5-10)9-17/h2-3,10-12H,4-9H2,1H3,(H,18,20)
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| InChIKey |
YCZUOCQXTSSNDL-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