General Information of the Compound
Compound ID
CP0850284
Compound Name
trans-[2-(4'-Fluorobiphenyl-4-yl)cyclopropyl]methylamine Hydrochloride
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Structure
Formula
C16H17ClFN
Molecular Weight
277.77
Canonical SMILES
Cl.NC[C@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2)cc1
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InChI
InChI=1S/C16H16FN.ClH/c17-15-7-5-12(6-8-15)11-1-3-13(4-2-11)16-9-14(16)10-18;/h1-8,14,16H,9-10,18H2;1H/t14-,16-;/m1./s1
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InChIKey
HPKOLCIULZGXQQ-VNYZMKMESA-N
Physicochemical Property
logP
3.9767
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 44572303
ChEMBL ID
CHEMBL474205
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 > 1000 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 > 1000 nM
   TI
   LI
   LO
   TS