General Information of the Compound
Compound ID
CP0434732
Compound Name
2-[(E)-naphthalen-2-ylmethylideneamino]guanidine
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Structure
Formula
C12H13ClN4
Molecular Weight
248.717
Canonical SMILES
Cl.NC(=N)N\N=C\c1ccc2ccccc2c1
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InChI
InChI=1S/C12H12N4/c13-12(14)16-15-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H4,13,14,16)/b15-8+
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InChIKey
BMWOBKCWJKMUAZ-OVCLIPMQSA-N
Physicochemical Property
logP
2.07857
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
74.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 9573375
ChEMBL ID
CHEMBL285853
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 = 11300 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 = 7500 nM
   TI
   LI
   LO
   TS