General Information of the Compound
Compound ID
CP0373324
Compound Name
(R)-2-(8-methoxymethyl-benzo[1,2-b;4,5-b']difuran-4-yl)-1-methyl-ethylamine
    Show/Hide
Structure
Formula
C15H17NO3
Molecular Weight
259.305
Canonical SMILES
COCc1c2ccoc2c(C[C@@H](C)N)c2ccoc12
    Show/Hide
InChI
InChI=1S/C15H17NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h3-6,9H,7-8,16H2,1-2H3/t9-/m1/s1
    Show/Hide
InChIKey
JHGKNOZNVVGTDV-SECBINFHSA-N
Physicochemical Property
logP
3.2151
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
61.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 44431703
ChEMBL ID
CHEMBL394325
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: PT01492, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000238 A7r5 Rattus norvegicus (Rat)  1
1
EC50 = 3.6 nM
   TI
   LI
   LO
   TS