General Information of the Compound
| Compound ID |
CP0914662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-(tert-butyl)isoxazol-3-yl)-3-(4-(1-(2-chloro-4-(2-(dimethylamino)ethoxy)phenyl)-1H-1,2,3-triazol-4-yl)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30ClN7O3
|
||||||||||||||||||
| Molecular Weight |
524.025
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCOc1ccc(-n2cc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nn2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30ClN7O3/c1-26(2,3)23-15-24(31-37-23)29-25(35)28-18-8-6-17(7-9-18)21-16-34(32-30-21)22-11-10-19(14-20(22)27)36-13-12-33(4)5/h6-11,14-16H,12-13H2,1-5H3,(H2,28,29,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJZGCPAJJWAUQD-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