General Information of the Compound
| Compound ID |
CP0407863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-((2-methylthiazol-4-yl)methyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C27H31N9OS
|
||||||||||||||||||
| Molecular Weight |
529.674
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(Cc2nc3ccc(cc3[nH]2)-c2nn([C@H]3CC[C@@H](CC3)N3CCOCC3)c3ncnc(N)c23)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N9OS/c1-16-31-18(14-38-16)13-23-32-21-7-2-17(12-22(21)33-23)25-24-26(28)29-15-30-27(24)36(34-25)20-5-3-19(4-6-20)35-8-10-37-11-9-35/h2,7,12,14-15,19-20H,3-6,8-11,13H2,1H3,(H,32,33)(H2,28,29,30)/t19-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
STAAEKNKOMTDTG-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