General Information of the Compound
| Compound ID |
CP0419316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3S)-3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]oxypyrrolidin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3O4
|
||||||||||||||||||
| Molecular Weight |
393.443
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-c1ccc2ncnc(O[C@H]3CCN(C3)C(C)=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3O4/c1-14(26)25-9-8-17(12-25)29-22-18-10-15(4-6-19(18)23-13-24-22)16-5-7-20(27-2)21(11-16)28-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMWNQYUMDITPFO-KRWDZBQOSA-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform