General Information of the Compound
| Compound ID |
CP0445441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(Z)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,5-dimethoxyphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N5O3
|
||||||||||||||||||
| Molecular Weight |
437.544
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N5O3/c1-16-9-7-8-10-20(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)13-17-11-18(31-5)14-19(12-17)32-6/h7-12,14,22H,13H2,1-6H3,(H,28,30)(H2,26,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJJJATPGUCNMJS-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
Protein ID: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7