General Information of the Compound
| Compound ID |
CP0453654
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
AZD0530 analogue 38
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClN4O3
|
||||||||||||||||||
| Molecular Weight |
428.92
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3ccc(OC)c(OC4CCN(C)CC4)c23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN4O3/c1-27-10-8-14(9-11-27)30-21-19(29-3)7-6-17-20(21)22(25-13-24-17)26-18-12-15(28-2)4-5-16(18)23/h4-7,12-14H,8-11H2,1-3H3,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFPJZRSYKZXVBS-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