General Information of the Compound
| Compound ID |
CP0502832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]-6-methoxy-7-alkoxyamino-quinazoline derivative
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38N8O4
|
||||||||||||||||||
| Molecular Weight |
586.697
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1ccc2OCOc2c1)=NC#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38N8O4/c1-40-27-17-24-25(18-29(27)41-15-5-10-37-8-3-2-4-9-37)35-21-36-30(24)38-11-13-39(14-12-38)31(34-20-32)33-19-23-6-7-26-28(16-23)43-22-42-26/h6-7,16-18,21H,2-5,8-15,19,22H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQGFBLYLLXKIPF-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