General Information of the Compound
| Compound ID |
CP0969407
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(6-(Aminomethyl)pyrimidin-4-yl)piperazin-1-yl)-2-phenylethanone acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25N5O3
|
||||||||||||||||||
| Molecular Weight |
371.441
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O.NCc1cc(N2CCN(CC(=O)c3ccccc3)CC2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N5O.C2H4O2/c18-11-15-10-17(20-13-19-15)22-8-6-21(7-9-22)12-16(23)14-4-2-1-3-5-14;1-2(3)4/h1-5,10,13H,6-9,11-12,18H2;1H3,(H,3,4)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDZIGOLBODEINY-UHFFFAOYSA-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