General Information of the Compound
| Compound ID |
CP0384325
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((1r,4r)-4-morpholinocyclohexyl)-3-(2-phenyl-1H-benzo[d]imidazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C28H30N8O
|
||||||||||||||||||
| Molecular Weight |
494.603
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc([nH]c4c3)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N8O/c29-26-24-25(19-6-11-22-23(16-19)33-27(32-22)18-4-2-1-3-5-18)34-36(28(24)31-17-30-26)21-9-7-20(8-10-21)35-12-14-37-15-13-35/h1-6,11,16-17,20-21H,7-10,12-15H2,(H,32,33)(H2,29,30,31)/t20-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEPPFJZPUGRZEO-MEMLXQNLSA-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 | |||||||||||||||||||
| 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