General Information of the Compound
Compound ID
CP0373327
Compound Name
(R)-1-methyl-2-{8-[2-(3-methyl-[1,2,4]oxadiazol-5-yl)-ethyl]-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']difuran-4-yl}-ethylamine
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Structure
Formula
C18H23N3O3
Molecular Weight
329.4
Canonical SMILES
C[C@@H](N)Cc1c2CCOc2c(CCc2nc(C)no2)c2CCOc12
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InChI
InChI=1S/C18H23N3O3/c1-10(19)9-15-14-6-8-22-17(14)12(13-5-7-23-18(13)15)3-4-16-20-11(2)21-24-16/h10H,3-9,19H2,1-2H3/t10-/m1/s1
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InChIKey
SNUHFSRRAHQKDD-SNVBAGLBSA-N
Physicochemical Property
logP
1.92272
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
83.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
24

"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).

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PubChem ID
CID: 44431700
ChEMBL ID
CHEMBL232594
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 > 10000 nM
   TI
   LI
   LO
   TS