General Information of the Compound
| Compound ID |
CP0402821
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[7-(3-Dimethylamino-propoxy)-6-methoxy-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38N6O4
|
||||||||||||||||||
| Molecular Weight |
522.65
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN(C)C)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38N6O4/c1-20(2)38-22-9-7-21(8-10-22)31-28(35)34-14-12-33(13-15-34)27-23-17-25(36-5)26(18-24(23)29-19-30-27)37-16-6-11-32(3)4/h7-10,17-20H,6,11-16H2,1-5H3,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMCHTTMWEWKGDC-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