General Information of the Compound
Compound ID
CP0194487
Compound Name
2-(4-fluorophenyl)guanidine
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Structure
Formula
C7H8FN3
Molecular Weight
153.16
Canonical SMILES
NC(=N)Nc1ccc(F)cc1
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InChI
InChI=1S/C7H8FN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
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InChIKey
STTLMODNENPLQQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.13107
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
61.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
1
Complexity
11

"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: 1549311
SID: 15922631
ChEMBL ID
CHEMBL1160766
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: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 22600 nM
   TI
   LI
   LO
   TS
Protein ID: PT04591, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 48300 nM
   TI
   LI
   LO
   TS
Protein ID: PT06607, Solute carrier family 22 member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 27800 nM
   TI
   LI
   LO
   TS