General Information of the Compound
| Compound ID |
CP0500485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[1-[3-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N4O3
|
||||||||||||||||||
| Molecular Weight |
510.638
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nn(CCCN2CCC(CC2)c2cccc(NC(C)=O)c2)c(=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N4O3/c1-22(36)32-26-8-5-7-25(21-26)23-15-19-34(20-16-23)17-6-18-35-31(37)29-10-4-3-9-28(29)30(33-35)24-11-13-27(38-2)14-12-24/h3-5,7-14,21,23H,6,15-20H2,1-2H3,(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRGUCGVPMUDWRA-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