General Information of the Compound
Compound ID
CP0437883
Compound Name
2-[8-[(2R)-2-aminopropyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl]acetic acid
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Structure
Formula
C15H19NO4
Molecular Weight
277.32
Canonical SMILES
C[C@@H](N)Cc1c2CCOc2c(CC(O)=O)c2CCOc12
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InChI
InChI=1S/C15H19NO4/c1-8(16)6-11-9-2-4-20-15(9)12(7-13(17)18)10-3-5-19-14(10)11/h8H,2-7,16H2,1H3,(H,17,18)/t8-/m1/s1
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InChIKey
AMSVLZBGRDULNS-MRVPVSSYSA-N
Physicochemical Property
logP
1.0732
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
81.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 44431692
ChEMBL ID
CHEMBL232997
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 = 4970 nM
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