General Information of the Compound
| Compound ID |
CP0394001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-(adamantane-1-carbonylamino)-1H-pyrrole-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O3
|
||||||||||||||||||
| Molecular Weight |
302.374
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1[nH]ccc1NC(=O)C12CC3CC(CC(C3)C1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O3/c1-22-15(20)14-13(2-3-18-14)19-16(21)17-7-10-4-11(8-17)6-12(5-10)9-17/h2-3,10-12,18H,4-9H2,1H3,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZLQHYLADMSPOH-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2