General Information of the Compound
| Compound ID |
CP0386991
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| Compound Name |
methyl 2-(adamantane-1-carbonylamino)-5-butyl-4-methylthiophene-3-carboxylate
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| Structure |
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| Formula |
C22H31NO3S
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| Molecular Weight |
389.561
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| Canonical SMILES |
CCCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1C
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| InChI |
InChI=1S/C22H31NO3S/c1-4-5-6-17-13(2)18(20(24)26-3)19(27-17)23-21(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,4-12H2,1-3H3,(H,23,25)
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| InChIKey |
IZCAWAUWKDGMTP-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