General Information of the Compound
| Compound ID |
CP0168095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N6O2
|
||||||||||||||||||
| Molecular Weight |
484.604
|
||||||||||||||||||
| Canonical SMILES |
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXFHEWHRZWCTEI-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 | |
| CL000034 | Caco-2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 5168 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|