General Information of the Compound
Compound ID
CP0873389
Compound Name
rac-trans-[2-(2-Benzyloxyphenyl)cyclopropyl]methylamine Hydrochloride
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Structure
Formula
C17H20ClNO
Molecular Weight
289.806
Canonical SMILES
Cl.NC[C@H]1C[C@@H]1c1ccccc1OCc1ccccc1
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InChI
InChI=1S/C17H19NO.ClH/c18-11-14-10-16(14)15-8-4-5-9-17(15)19-12-13-6-2-1-3-7-13;/h1-9,14,16H,10-12,18H2;1H/t14-,16+;/m1./s1
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InChIKey
CGXSQMDIDHLRFQ-XMZRARIVSA-N
Physicochemical Property
logP
3.7496
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 70693927
ChEMBL ID
CHEMBL2022192
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: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1080 nM
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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 = 304 nM
   TI
   LI
   LO
   TS