General Information of the Compound
Compound ID
CP0784795
Compound Name
trans-[2-(2-Bromophenyl)cyclopropyl]methylamine Hydrochloride
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Structure
Formula
C10H13BrClN
Molecular Weight
262.578
Canonical SMILES
Cl.NCC1CC1c1ccccc1Br
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InChI
InChI=1S/C10H12BrN.ClH/c11-10-4-2-1-3-8(10)9-5-7(9)6-12;/h1-4,7,9H,5-6,12H2;1H
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InChIKey
SYDKDXKLTMXNAA-UHFFFAOYSA-N
Physicochemical Property
logP
2.9331
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
13

"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: 16047543
SID: 24433708
ChEMBL ID
CHEMBL492916
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 94 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 655 nM
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 = 4.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 22 nM
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 = 1.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 124 nM