General Information of the Compound
| Compound ID |
CP0382914
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl (3R)-4-[5-[(3-cyanopyridin-4-yl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N6O3
|
||||||||||||||||||
| Molecular Weight |
396.451
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N6O3/c1-14(2)29-20(27)25-6-7-26(15(3)12-25)19-23-10-18(11-24-19)28-13-16-4-5-22-9-17(16)8-21/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMKRHCQIVVXVRS-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