General Information of the Compound
| Compound ID |
CP0457215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H38N4O2
|
||||||||||||||||||
| Molecular Weight |
522.693
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nn(CCCN2CCC(CC2)c2cccc(NC(C)=O)c2)c(=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H38N4O2/c1-23(2)25-12-14-27(15-13-25)32-30-10-4-5-11-31(30)33(39)37(35-32)19-7-18-36-20-16-26(17-21-36)28-8-6-9-29(22-28)34-24(3)38/h4-6,8-15,22-23,26H,7,16-21H2,1-3H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDEKCPQOTZHLSQ-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