General Information of the Compound
| Compound ID |
CP0407865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((1r,4r)-4-morpholinocyclohexyl)-3-(2-phenethyl-1H-benzo[d]imidazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C30H34N8O
|
||||||||||||||||||
| Molecular Weight |
522.657
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc(CCc5ccccc5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N8O/c31-29-27-28(21-7-12-24-25(18-21)35-26(34-24)13-6-20-4-2-1-3-5-20)36-38(30(27)33-19-32-29)23-10-8-22(9-11-23)37-14-16-39-17-15-37/h1-5,7,12,18-19,22-23H,6,8-11,13-17H2,(H,34,35)(H2,31,32,33)/t22-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HONFZJHCAXJJOE-YHBQERECSA-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