General Information of the Compound
| Compound ID |
CP0943580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(7-(tert-butylamino)-3,4-dihydro-2H-1,4-diazepin-5-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20N4
|
||||||||||||||||||
| Molecular Weight |
268.364
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC1=NCCNC(c2ccc(C#N)cc2)=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20N4/c1-16(2,3)20-15-10-14(18-8-9-19-15)13-6-4-12(11-17)5-7-13/h4-7,10,18H,8-9H2,1-3H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCRFUGMTSSHGAT-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