General Information of the Compound
| Compound ID |
CP0227790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-chlorophenyl)-6-(3-methoxypiperidin-1-yl)-N-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37ClN6O2
|
||||||||||||||||||
| Molecular Weight |
537.108
|
||||||||||||||||||
| Canonical SMILES |
COC1CCCN(C1)c1cc(nc(Nc2cccc(OCCN3CCN(C)CC3)c2)n1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37ClN6O2/c1-34-13-15-35(16-14-34)17-18-38-25-6-3-5-24(19-25)31-29-32-27(22-8-10-23(30)11-9-22)20-28(33-29)36-12-4-7-26(21-36)37-2/h3,5-6,8-11,19-20,26H,4,7,12-18,21H2,1-2H3,(H,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
POUXZBWKEWMAAE-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 | |||||||||||||||||||
Table of Molecular Bioactivities Related to the Compound