General Information of the Compound
Compound ID
CP0870866
Compound Name
1-Chloro-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxaldehyde guanylhydrazone
    Show/Hide
Structure
Formula
C14H17ClN4
Molecular Weight
276.771
Canonical SMILES
Cc1cc(C)c2c(c1)C(Cl)=C(/C=N/NC(=N)N)CC2
    Show/Hide
InChI
InChI=1S/C14H17ClN4/c1-8-5-9(2)11-4-3-10(7-18-19-14(16)17)13(15)12(11)6-8/h5-7H,3-4H2,1-2H3,(H4,16,17,19)/b18-7+
    Show/Hide
InChIKey
OJWYODOHMLXEBK-CNHKJKLMSA-N
Physicochemical Property
logP
2.66841
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
74.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44588411
ChEMBL ID
CHEMBL456392
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 = 2500 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 = 1200 nM
   TI
   LI
   LO
   TS