General Information of the Compound
Compound ID
CP0845433
Compound Name
trans-[2-(4-Furan-2-ylphenyl)cyclopropyl]methylamine Hydrochloride
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Structure
Formula
C14H16ClNO
Molecular Weight
249.741
Canonical SMILES
Cl.NC[C@H]1C[C@@H]1c1ccc(-c2ccco2)cc1
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InChI
InChI=1S/C14H15NO.ClH/c15-9-12-8-13(12)10-3-5-11(6-4-10)14-2-1-7-16-14;/h1-7,12-13H,8-9,15H2;1H/t12-,13-;/m1./s1
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InChIKey
OAVBQCLYBLUERM-OJERSXHUSA-N
Physicochemical Property
logP
3.4306
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
39.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 44572305
ChEMBL ID
CHEMBL474206
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: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1196 nM
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