General Information of the Compound
| Compound ID |
CP0445077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-(2-chloro-6-fluorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C29H30ClFN8O
|
||||||||||||||||||
| Molecular Weight |
561.065
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc(Cc5c(F)cccc5Cl)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30ClFN8O/c30-21-2-1-3-22(31)20(21)15-25-35-23-9-4-17(14-24(23)36-25)27-26-28(32)33-16-34-29(26)39(37-27)19-7-5-18(6-8-19)38-10-12-40-13-11-38/h1-4,9,14,16,18-19H,5-8,10-13,15H2,(H,35,36)(H2,32,33,34)/t18-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEJOBLPHDNAFCP-WGSAOQKQSA-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