General Information of the Compound
Compound ID
CP0870867
Compound Name
1-Phenoxy-3,4-dihydronaphthalene-2-carboxaldehyde guanylhydrazone
    Show/Hide
Structure
Formula
C18H18N4O
Molecular Weight
306.369
Canonical SMILES
N=C(N)N/N=C/C1=C(Oc2ccccc2)c2ccccc2CC1
    Show/Hide
InChI
InChI=1S/C18H18N4O/c19-18(20)22-21-12-14-11-10-13-6-4-5-9-16(13)17(14)23-15-7-2-1-3-8-15/h1-9,12H,10-11H2,(H4,19,20,22)/b21-12+
    Show/Hide
InChIKey
QBFQCTGYUBNAND-CIAFOILYSA-N
Physicochemical Property
logP
2.89177
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
83.49
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 44588450
ChEMBL ID
CHEMBL512206
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: PT06335, Envelope glycoprotein gp70
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000209 HEC-1 Homo sapiens (Human)  1
1
IC50 = 5900 nM
   TI
   LI
   LO
   TS
Protein ID: PT06742, Gag polyprotein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000209 HEC-1 Homo sapiens (Human)  1
1
IC50 = 3500 nM
   TI
   LI
   LO
   TS