General Information of the Compound
| Compound ID |
CP0897814
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(2-fluorophenyl)-N-(3-methylpentan-3-yl)-2,3-dihydro-1H-1,4-diazepin-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24FN3
|
||||||||||||||||||
| Molecular Weight |
289.398
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)(CC)NC1=NCCNC(c2ccccc2F)=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24FN3/c1-4-17(3,5-2)21-16-12-15(19-10-11-20-16)13-8-6-7-9-14(13)18/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUZLWOZHNQGLQA-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