General Information of the Compound
Compound ID
CP0530286
Compound Name
N-arachidonoylserotonin carbamate analogue, 3o
    Show/Hide
Structure
Formula
C21H18N2O3
Molecular Weight
346.386
Canonical SMILES
Oc1ccc2[nH]cc(CCNC(=O)Oc3ccc4ccccc4c3)c2c1
    Show/Hide
InChI
InChI=1S/C21H18N2O3/c24-17-6-8-20-19(12-17)16(13-23-20)9-10-22-21(25)26-18-7-5-14-3-1-2-4-15(14)11-18/h1-8,11-13,23-24H,9-10H2,(H,22,25)
    Show/Hide
InChIKey
LUTFVXBIRTVZJZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3578
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
74.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 24749057
SID: 49651184
ChEMBL ID
CHEMBL241139
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS