General Information of the Compound
Compound ID
CP0373330
Compound Name
(R)-2-(8-methoxymethyl-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']difuran-4-yl)-1-methyl-ethylamine
    Show/Hide
Structure
Formula
C15H21NO3
Molecular Weight
263.337
Canonical SMILES
COCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
    Show/Hide
InChI
InChI=1S/C15H21NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h9H,3-8,16H2,1-2H3/t9-/m1/s1
    Show/Hide
InChIKey
VDHZRXVDGRXINI-SECBINFHSA-N
Physicochemical Property
logP
1.5925
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
53.71
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: 16747713
SID: 26733748
ChEMBL ID
CHEMBL234464
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 = 12 nM
   TI
   LI
   LO
   TS
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 12.6 nM
   TI
   LI
   LO
   TS