General Information of the Compound
| Compound ID |
CP0442368
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(azepan-1-yl)-2-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H26N4
|
||||||||||||||||||
| Molecular Weight |
286.423
|
||||||||||||||||||
| Canonical SMILES |
C1CC1c1nc2NCCCCc2c(n1)N1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H26N4/c1-2-6-12-21(11-5-1)17-14-7-3-4-10-18-16(14)19-15(20-17)13-8-9-13/h13H,1-12H2,(H,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWBCYHIRISUDJH-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