General Information of the Compound
| Compound ID |
CP0047706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propyl]cyclopropanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N2O2
|
||||||||||||||||||
| Molecular Weight |
376.5
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCc1cccc2nc(CCCCc3ccccc3)oc12)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N2O2/c27-24(20-15-16-20)25-17-7-12-19-11-6-13-21-23(19)28-22(26-21)14-5-4-10-18-8-2-1-3-9-18/h1-3,6,8-9,11,13,20H,4-5,7,10,12,14-17H2,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMBJPTCDLBHBPS-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