General Information of the Compound
| Compound ID |
CP0571742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-N-[3-[6-(3-pyrrolidin-1-ylpropoxy)-1,3-benzoxazol-2-yl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N4O3
|
||||||||||||||||||
| Molecular Weight |
456.546
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N4O3/c28-21-9-7-19(8-10-21)26(32)29-22-6-3-5-20(17-22)27-30-24-12-11-23(18-25(24)34-27)33-16-4-15-31-13-1-2-14-31/h3,5-12,17-18H,1-2,4,13-16,28H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBZIUIXKIUHCQZ-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