General Information of the Compound
Compound ID
CP0870099
Compound Name
trans-[2-(4-Fluoro-3-methylphenyl)cyclopropyl]methylamine Hydrochloride
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Structure
Formula
C11H15ClFN
Molecular Weight
215.699
Canonical SMILES
Cc1cc([C@H]2C[C@@H]2CN)ccc1F.Cl
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InChI
InChI=1S/C11H14FN.ClH/c1-7-4-8(2-3-11(7)12)10-5-9(10)6-13;/h2-4,9-10H,5-6,13H2,1H3;1H/t9-,10-;/m1./s1
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InChIKey
OURNLOXGBUQXDQ-DHTOPLTISA-N
Physicochemical Property
logP
2.61812
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 44572171
ChEMBL ID
CHEMBL474633
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 = 235 nM
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   LI
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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 = 4.9 nM
   TI
   LI
   LO
   TS
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 = 6 nM
   TI
   LI
   LO
   TS