General Information of the Compound
Compound ID
CP0538885
Compound Name
2-(4-benzylphenyl)guanidine
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Structure
Formula
C14H15N3
Molecular Weight
225.295
Canonical SMILES
NC(=N)Nc1ccc(Cc2ccccc2)cc1
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InChI
InChI=1S/C14H15N3/c15-14(16)17-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,15,16,17)
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InChIKey
XMDQDPWQAWHNDK-UHFFFAOYSA-N
Physicochemical Property
logP
2.58277
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
61.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 24801038
SID: 49745604
ChEMBL ID
CHEMBL272259
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: 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 = 96200 nM
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