General Information of the Compound
| Compound ID |
CP0467314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(Z)-[(cyanoamino)-[(2-methylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-(4-fluorophenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25FN6O
|
||||||||||||||||||
| Molecular Weight |
396.47
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncccc1NC(NC#N)=NC(NC(=O)Cc1ccc(F)cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25FN6O/c1-14-17(6-5-11-24-14)26-20(25-13-23)28-19(21(2,3)4)27-18(29)12-15-7-9-16(22)10-8-15/h5-11,19H,12H2,1-4H3,(H,27,29)(H2,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
STCHVWBFGFCQKG-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7