General Information of the Compound
Compound ID
CP0904513
Compound Name
trans-[2-(2-Hydroxyphenyl)cyclopropyl]methylamine Hydrochloride
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Structure
Formula
C10H14ClNO
Molecular Weight
199.681
Canonical SMILES
Cl.NC[C@H]1C[C@@H]1c1ccccc1O
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InChI
InChI=1S/C10H13NO.ClH/c11-6-7-5-9(7)8-3-1-2-4-10(8)12;/h1-4,7,9,12H,5-6,11H2;1H/t7-,9+;/m1./s1
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InChIKey
MCWUEFGUKMGICK-JXLXBRSFSA-N
Physicochemical Property
logP
1.8762
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
46.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 44572760
ChEMBL ID
CHEMBL501117
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 = 513 nM
   TI
   LI
   LO
   TS
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 = 492 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 = 161 nM
   TI
   LI
   LO
   TS