General Information of the Compound
| Compound ID |
CP0571178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxophthalazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22ClN3O4
|
||||||||||||||||||
| Molecular Weight |
463.921
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22ClN3O4/c1-32-21-12-7-16(15-22(21)33-2)13-14-27-24(30)23-19-5-3-4-6-20(19)25(31)29(28-23)18-10-8-17(26)9-11-18/h3-12,15H,13-14H2,1-2H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUGQDCMTOCRKLG-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 | |||||||||||||||||||
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