General Information of the Compound
| Compound ID |
CP0045859
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Anilino-4-(4-pyridylmethyl)phthalazine Dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N4
|
||||||||||||||||||
| Molecular Weight |
312.376
|
||||||||||||||||||
| Canonical SMILES |
C(c1ccncc1)c1nnc(Nc2ccccc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFPYLUYNQSOURF-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