General Information of the Compound
| Compound ID |
CP0185185
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-[6-(3-hydroxyazetidin-1-yl)pyridin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClN5O2
|
||||||||||||||||||
| Molecular Weight |
393.834
|
||||||||||||||||||
| Canonical SMILES |
OC1CN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClN5O2/c21-15-3-1-13(2-4-15)14-7-18-20(28)25(12-23-26(18)9-14)16-5-6-19(22-8-16)24-10-17(27)11-24/h1-9,12,17,27H,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVDWBRFTMSOBSU-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