General Information of the Compound
| Compound ID |
CP0504568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(3,3-Dimethyl-butyrylamino)-pyrrolidine-1-carboxylic acid adamantan-2-yl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H34N2O3
|
||||||||||||||||||
| Molecular Weight |
362.514
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H34N2O3/c1-21(2,3)11-18(24)22-17-4-5-23(12-17)20(25)26-19-15-7-13-6-14(9-15)10-16(19)8-13/h13-17,19H,4-12H2,1-3H3,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQUIRXSOJSCSSN-CMPFZWEDSA-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