General Information of the Compound
| Compound ID |
CP0448810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{6-Methoxy-7-[3-(4-methyl-piperidin-1-yl)-propoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37N7O3
|
||||||||||||||||||
| Molecular Weight |
543.672
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCC(C)CC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37N7O3/c1-22-8-11-35(12-9-22)10-3-17-40-28-19-26-25(18-27(28)39-2)29(33-21-32-26)36-13-15-37(16-14-36)30(38)34-24-6-4-23(20-31)5-7-24/h4-7,18-19,21-22H,3,8-17H2,1-2H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCSWTYSYHRBWDT-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3