General Information of the Compound
| Compound ID |
CP0444935
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((1r,4r)-4-morpholinocyclohexyl)-3-(2-(thiophen-3-ylmethyl)-1H-benzo[d]imidazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C27H30N8OS
|
||||||||||||||||||
| Molecular Weight |
514.659
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccsc5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N8OS/c28-26-24-25(18-1-6-21-22(14-18)32-23(31-21)13-17-7-12-37-15-17)33-35(27(24)30-16-29-26)20-4-2-19(3-5-20)34-8-10-36-11-9-34/h1,6-7,12,14-16,19-20H,2-5,8-11,13H2,(H,31,32)(H2,28,29,30)/t19-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJYKKQGFOFSZLL-MXVIHJGJSA-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