General Information of the Compound
| Compound ID |
CP0341849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N8O4
|
||||||||||||||||||
| Molecular Weight |
520.594
|
||||||||||||||||||
| Canonical SMILES |
CNCCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(OC)nc(n2)N2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N8O4/c1-27-12-13-33(2)23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11,27H,12-17H2,1-3H3,(H2,28,29,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSEOICSDTQOYIW-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 374 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|