General Information of the Compound
Compound ID
CP0770042
Compound Name
SID50106306
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Synonyms
BS 100-141
BS-100-141
Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, hydrochloride (1:1)
Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride
Connexyn
Estulic
G 1043
GUANFACINE HCL
Guanfacine hydrochloride
Guanfacine hydrochloride (JAN/USP)
Guanfacine hydrochloride [USAN:JAN]
Intuniv
LON 798
N-(Aminoiminomethyl)-2,6-dichlorobenzeneacetamide hydrochloride
N-(Aminoiminomethyl)-2,6-dichlorophenylacetamide monohydrochloride
N-(aminoiminomethyl)-2,6-dichloro-benzeneacetamide hydrochloride
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide hydrochloride
N-Amidino-2-(2,6-dichlorophenyl)acetamide hydrochloride
N-Amidino-2-(2,6-dichlorophenyl)acetamide monohydrochloride
N-carbamimidoyl-2-(2,6-dichlorphenyl)acetamidhydrochlorid
SPD-503
Tenex
Tenex (TN)
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Structure
Formula
C9H10Cl3N3O
Molecular Weight
282.558
Canonical SMILES
Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl
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InChI
InChI=1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H
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InChIKey
DGFYECXYGUIODH-UHFFFAOYSA-N
CAS
29110-48-3
Physicochemical Property
logP
1.96737
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
78.97
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 71401
SID: 14799743
ChEMBL ID
CHEMBL1200494
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 5804.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Connexyn )
Drug Name Connexyn
Indication
Attention deficit hyperactivity disorder
Approved
Target(s)
Adrenergic receptor alpha-2A (ADRA2A)
 Target Info 
Agonist