General Information of the Compound
| Compound ID |
CP0543556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(7R)-4-(2-chloro-5-methylpyrimidin-4-yl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClN7O
|
||||||||||||||||||
| Molecular Weight |
411.897
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(Cl)ncc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClN7O/c1-14-13-22-20(21)25-18(14)26-10-7-15(2)27(12-11-26)19(29)16-5-3-4-6-17(16)28-23-8-9-24-28/h3-6,8-9,13,15H,7,10-12H2,1-2H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNJOJWBDLXPSGO-OAHLLOKOSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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