General Information of the Compound
| Compound ID |
CP0519831
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-4-(3-prop-2-ynoxyphenyl)-6-(4-prop-2-ynoxyphenyl)pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18N2O2
|
||||||||||||||||||
| Molecular Weight |
354.409
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18N2O2/c1-4-13-26-20-11-9-18(10-12-20)22-16-23(25-17(3)24-22)19-7-6-8-21(15-19)27-14-5-2/h1-2,6-12,15-16H,13-14H2,3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXUCYNCASWOQAD-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B