General Information of the Compound
| Compound ID |
CP0435597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methoxy-N-(3-(4-(3-methyl-4-(piperidin-4-yloxy)phenylamino)quinazolin-6-yl)prop-2-ynyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N5O3
|
||||||||||||||||||
| Molecular Weight |
459.55
|
||||||||||||||||||
| Canonical SMILES |
COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCNCC4)c(C)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N5O3/c1-18-14-20(6-8-24(18)34-21-9-12-27-13-10-21)31-26-22-15-19(5-7-23(22)29-17-30-26)4-3-11-28-25(32)16-33-2/h5-8,14-15,17,21,27H,9-13,16H2,1-2H3,(H,28,32)(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMZBLRKWGWFDGA-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