General Information of the Compound
| Compound ID |
CP0535736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{2-[(2-Bromo-4-isopropyl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl}-benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23BrN4
|
||||||||||||||||||
| Molecular Weight |
435.369
|
||||||||||||||||||
| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1C#N)c1ccc(cc1Br)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23BrN4/c1-5-28(22-11-10-17(15(2)3)13-20(22)24)23-26-16(4)12-21(27-23)19-9-7-6-8-18(19)14-25/h6-13,15H,5H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBXPCVLAQZYCHL-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