General Information of the Compound
| Compound ID |
CP0464610
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (4-pyridin-2-yl-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37N7O2S
|
||||||||||||||||||
| Molecular Weight |
583.762
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)Nc1ccc(cc1)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N7O2S/c1-40-29-21-26-28(22-30(29)41-20-19-37-13-5-2-6-14-37)34-23-35-31(26)38-15-17-39(18-16-38)32(42)36-25-10-8-24(9-11-25)27-7-3-4-12-33-27/h3-4,7-12,21-23H,2,5-6,13-20H2,1H3,(H,36,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLJLHTHYQPNRLZ-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
Protein ID: PT00844, Platelet-derived growth factor receptor beta