General Information of the Compound
| Compound ID |
CP0467316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(Z)-[(cyanoamino)-(2,4,6-trifluoroanilino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26F3N5O3
|
||||||||||||||||||
| Molecular Weight |
477.487
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC(=O)NC(N=C(NC#N)Nc2c(F)cc(F)cc2F)C(C)(C)C)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26F3N5O3/c1-23(2,3)21(29-19(32)9-13-6-7-17(33-4)18(8-13)34-5)31-22(28-12-27)30-20-15(25)10-14(24)11-16(20)26/h6-8,10-11,21H,9H2,1-5H3,(H,29,32)(H2,28,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKBFPHODXGJJKG-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