General Information of the Compound
| Compound ID |
CP0543198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[6-(3-pyrrolidin-1-ylpropoxy)-1,3-benzoxazol-2-yl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N3O3
|
||||||||||||||||||
| Molecular Weight |
441.531
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N3O3/c31-26(20-8-2-1-3-9-20)28-22-11-6-10-21(18-22)27-29-24-13-12-23(19-25(24)33-27)32-17-7-16-30-14-4-5-15-30/h1-3,6,8-13,18-19H,4-5,7,14-17H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHCQRKZKHTWQQT-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