General Information of the Compound
| Compound ID |
CP0275536
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N5O2
|
||||||||||||||||||
| Molecular Weight |
349.394
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc2[nH]ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPMOMDVUKVSFMP-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: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 602 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|