General Information of the Compound
| Compound ID |
CP0951296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6-((1-Ethyl-1H-indol-4-yl)oxy)pyrimidin-4-yl)methanamine acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N4O3
|
||||||||||||||||||
| Molecular Weight |
328.372
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O.CCn1ccc2c(Oc3cc(CN)ncn3)cccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16N4O.C2H4O2/c1-2-19-7-6-12-13(19)4-3-5-14(12)20-15-8-11(9-16)17-10-18-15;1-2(3)4/h3-8,10H,2,9,16H2,1H3;1H3,(H,3,4)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUZABVDUGRULPD-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