General Information of the Compound
| Compound ID |
CP0484069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-((1,4-diazepan-1-yl)methyl)-N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClFN6O
|
||||||||||||||||||
| Molecular Weight |
480.975
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(COc2ccc(Nc3ncnn4ccc(CN5CCCNCC5)c34)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClFN6O/c26-22-14-21(5-6-23(22)34-16-18-3-1-4-20(27)13-18)31-25-24-19(7-11-33(24)30-17-29-25)15-32-10-2-8-28-9-12-32/h1,3-7,11,13-14,17,28H,2,8-10,12,15-16H2,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRJCFUJRPZRZAO-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