General Information of the Compound
| Compound ID |
CP0526483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclopropylmethyl)pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N5O
|
||||||||||||||||||
| Molecular Weight |
365.481
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC1CC1)c1cncc(n1)N1CCCN(Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N5O/c27-21(23-13-17-7-8-17)19-14-22-15-20(24-19)26-10-4-9-25(11-12-26)16-18-5-2-1-3-6-18/h1-3,5-6,14-15,17H,4,7-13,16H2,(H,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEMHVXACWXQMNB-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