General Information of the Compound
Compound ID
CP0922086
Compound Name
rac-4-(3-(3-methoxypropoxy)phenyl)-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione
    Show/Hide
Structure
Formula
C21H20N2O4
Molecular Weight
364.401
Canonical SMILES
COCCCOc1cccc(C2NC(=O)NC3=C2C(=O)c2ccccc23)c1
    Show/Hide
InChI
InChI=1S/C21H20N2O4/c1-26-10-5-11-27-14-7-4-6-13(12-14)18-17-19(23-21(25)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,18H,5,10-11H2,1H3,(H2,22,23,25)
    Show/Hide
InChIKey
HNEVLTMGONUBIF-UHFFFAOYSA-N
Physicochemical Property
logP
3.0634
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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
CID: 57397496
ChEMBL ID
CHEMBL1939823
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1700 nM
   TI
   LI
   LO
   TS