General Information of the Compound
| Compound ID |
CP0955946
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(4-[4-[(5-Methyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl)azetidin-1-yl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C25H30N8O
|
||||||||||||||||||
| Molecular Weight |
458.57
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)N1CC(c2ccc(-c3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C)CC4)n3)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N8O/c1-4-24(34)33-15-20(16-33)18-5-7-19(8-6-18)25-27-21(26-22-13-17(2)29-30-22)14-23(28-25)32-11-9-31(3)10-12-32/h4-8,13-14,20H,1,9-12,15-16H2,2-3H3,(H2,26,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEBWNWVAJXFTBY-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 | |||||||||||||||||||
| 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