General Information of the Compound
| Compound ID |
CP0440241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid [4-(1-oxy-pyridin-2-yl)-phenyl]-amide
Show/Hide
|
||||||||||||||||||
| Formula |
C32H37N7O3S
|
||||||||||||||||||
| Molecular Weight |
599.761
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=[SH+])[N-]c1ccc(cc1)-c1cccc[n+]1[O-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N7O3S/c1-41-29-21-26-27(22-30(29)42-20-19-36-12-4-2-5-13-36)33-23-34-31(26)37-15-17-38(18-16-37)32(43)35-25-10-8-24(9-11-25)28-7-3-6-14-39(28)40/h3,6-11,14,21-23H,2,4-5,12-13,15-20H2,1H3,(H,35,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDBGVSFHOMJSOL-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 | |||||||||||||||||||
| 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