General Information of the Compound
Compound ID
CP0707752
Compound Name
2-(2-(benzyloxy)-5-bromobenzylidene)hydrazinecarboximidamide
    Show/Hide
Structure
Formula
C15H15BrN4O
Molecular Weight
347.216
Canonical SMILES
N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1
    Show/Hide
InChI
InChI=1S/C15H15BrN4O/c16-13-6-7-14(12(8-13)9-19-20-15(17)18)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,17,18,20)/b19-9+
    Show/Hide
InChIKey
CNNMFPOACGPYMP-DJKKODMXSA-N
Physicochemical Property
logP
2.84507
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
83.49
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 16728610
ChEMBL ID
CHEMBL397295
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: PT00903, C-C chemokine receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1901.08 nM