General Information of the Compound
| Compound ID |
CP0151259
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N6O3S
|
||||||||||||||||||
| Molecular Weight |
570.719
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DCKMTGBFLNPJPS-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: PT00883, Angiopoietin-1 receptor
Protein ID: PT01223, Aurora kinase B
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT00925, Vascular endothelial growth factor receptor 3