General Information of the Compound
| Compound ID |
CP0558015
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H28N6
|
||||||||||||||||||
| Molecular Weight |
352.486
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cc(CN2CCC[C@@H]2c2ccccn2)nc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMAIZIZUSVPLPP-LJQANCHMSA-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