General Information of the Compound
| Compound ID |
CP0441370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[1-[3-[4-[4-(dimethylamino)phenyl]-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37N5O2
|
||||||||||||||||||
| Molecular Weight |
523.681
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(cc1)-c1nn(CCCN2CCC(CC2)c2cccc(NC(C)=O)c2)c(=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N5O2/c1-23(38)33-27-9-6-8-26(22-27)24-16-20-36(21-17-24)18-7-19-37-32(39)30-11-5-4-10-29(30)31(34-37)25-12-14-28(15-13-25)35(2)3/h4-6,8-15,22,24H,7,16-21H2,1-3H3,(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBHRICSAYBDLRA-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