General Information of the Compound
| Compound ID |
CP0248226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[2-(1H-pyrazol-4-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22N4O4
|
||||||||||||||||||
| Molecular Weight |
442.475
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2nc3cccc(-c4ccccc4-c4cn[nH]c4)c3o2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22N4O4/c1-30-21-11-16(12-22(31-2)24(21)32-3)28-25-29-20-10-6-9-19(23(20)33-25)18-8-5-4-7-17(18)15-13-26-27-14-15/h4-14H,1-3H3,(H,26,27)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFCGAGZGPIDLNF-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