General Information of the Compound
| Compound ID |
CP0377146
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N3O3
|
||||||||||||||||||
| Molecular Weight |
497.639
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(on1)-c1ccc(cc1)-c1cccc(CN2CCOCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N3O3/c35-30(32-31-17-22-12-23(18-31)14-24(13-22)19-31)28-16-29(37-33-28)26-6-4-25(5-7-26)27-3-1-2-21(15-27)20-34-8-10-36-11-9-34/h1-7,15-16,22-24H,8-14,17-20H2,(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLPMHXQQTLQZIM-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