General Information of the Compound
| Compound ID |
CP0406563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[4-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]oxy-3-methylanilino]quinazolin-6-yl]prop-2-ynyl]-2-methoxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39N5O4
|
||||||||||||||||||
| Molecular Weight |
557.695
|
||||||||||||||||||
| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39N5O4/c1-22-17-24(9-11-28(22)41-25-12-15-37(16-13-25)30(39)19-32(2,3)4)36-31-26-18-23(8-10-27(26)34-21-35-31)7-6-14-33-29(38)20-40-5/h8-11,17-18,21,25H,12-16,19-20H2,1-5H3,(H,33,38)(H,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYWVXEDYXGGHGR-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