General Information of the Compound
| Compound ID |
CP0509362
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)propoxy)quinazolin-3(4H)-yl)-N-cyclopropylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31ClN4O3
|
||||||||||||||||||
| Molecular Weight |
495.023
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31ClN4O3/c28-20-7-4-6-19(16-20)26-30-24-11-10-22(35-15-5-14-31-12-2-1-3-13-31)17-23(24)27(34)32(26)18-25(33)29-21-8-9-21/h4,6-7,10-11,16-17,21H,1-3,5,8-9,12-15,18H2,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKDXJJLJZIJIKB-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