General Information of the Compound
| Compound ID |
CP0298969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[(adamantan-2-yl)carbamoyl]-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N2O3
|
||||||||||||||||||
| Molecular Weight |
408.542
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O3/c28-23(29)20-14-25(21-4-2-1-3-19(20)21)5-7-27(8-6-25)24(30)26-22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,15-18,20,22H,5-14H2,(H,26,30)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OWHGPTIAUNTCGK-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