General Information of the Compound
| Compound ID |
CP0735509
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Amino-6-(((1S)-1-(4-((1,1-dioxido-4-thiomorpholinyl)carbonyl)-6-fluoro-3-phenyl-2-quinolinyl)ethyl)amino)-5-pyrimidinecarbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24FN7O3S
|
||||||||||||||||||
| Molecular Weight |
545.6
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C(=O)N2CCS(=O)(=O)CC2)c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24FN7O3S/c1-16(33-26-20(14-29)25(30)31-15-32-26)24-22(17-5-3-2-4-6-17)23(19-13-18(28)7-8-21(19)34-24)27(36)35-9-11-39(37,38)12-10-35/h2-8,13,15-16H,9-12H2,1H3,(H3,30,31,32,33)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFGUSQRABAVVFV-INIZCTEOSA-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
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform