General Information of the Compound
| Compound ID |
CP0048845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chlorophenyl)-3-[2-[(1R,5S)-1-methyl-3-phenyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30ClN3O
|
||||||||||||||||||
| Molecular Weight |
423.988
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12C[C@H](CC(C1)c1ccccc1)N(CCN1CCN(C1=O)c1cccc(Cl)c1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30ClN3O/c1-25-16-20(19-6-3-2-4-7-19)14-23(17-25)28(18-25)11-10-27-12-13-29(24(27)30)22-9-5-8-21(26)15-22/h2-9,15,20,23H,10-14,16-18H2,1H3/t20?,23-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNCTXKNNQUMOPC-RYORKLGYSA-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