General Information of the Compound
| Compound ID |
CP0524454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(6-(4-((dimethylamino)methyl)pyridin-2-yl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N5O3
|
||||||||||||||||||
| Molecular Weight |
485.588
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cc(CN(C)C)ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N5O3/c1-18(2)30-26(34)17-33-27(21-7-6-8-22(14-21)36-5)31-24-10-9-20(15-23(24)28(33)35)25-13-19(11-12-29-25)16-32(3)4/h6-15,18H,16-17H2,1-5H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFDUHSFGPFRFKM-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