General Information of the Compound
| Compound ID |
CP0497431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (pyridin-3-ylmethyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N7O2S
|
||||||||||||||||||
| Molecular Weight |
521.691
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N7O2S/c1-35-24-16-22-23(17-25(24)36-15-14-32-8-3-2-4-9-32)30-20-31-26(22)33-10-12-34(13-11-33)27(37)29-19-21-6-5-7-28-18-21/h5-7,16-18,20H,2-4,8-15,19H2,1H3,(H,29,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOMXLJWSXFOKGB-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