General Information of the Compound
| Compound ID |
CP0934563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-(4-methoxyphenoxy)phenyl)-2-thioxo-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18N2O3S
|
||||||||||||||||||
| Molecular Weight |
414.486
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Oc2cccc(C3NC(=S)NC4=C3C(=O)c3ccccc34)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18N2O3S/c1-28-15-9-11-16(12-10-15)29-17-6-4-5-14(13-17)21-20-22(26-24(30)25-21)18-7-2-3-8-19(18)23(20)27/h2-13,21H,1H3,(H2,25,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXPGGPGYHNTFCB-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: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1