General Information of the Compound
| Compound ID |
CP0953102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Methyl 3-((4-((6-(aminomethyl)pyrimidin-4-yl)oxy)-1H-indol-1-yl)methyl)benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N4O3
|
||||||||||||||||||
| Molecular Weight |
388.427
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(Cn2ccc3c(Oc4cc(CN)ncn4)cccc32)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N4O3/c1-28-22(27)16-5-2-4-15(10-16)13-26-9-8-18-19(26)6-3-7-20(18)29-21-11-17(12-23)24-14-25-21/h2-11,14H,12-13,23H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDFGTVAAKPKHFS-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