General Information of the Compound
Compound ID
CP0421105
Compound Name
N-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
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Structure
Formula
C10H11ClN2
Molecular Weight
194.665
Canonical SMILES
Clc1ccccc1N=C1CCCN1
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InChI
InChI=1S/C10H11ClN2/c11-8-4-1-2-5-9(8)13-10-6-3-7-12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
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InChIKey
DADXHMUZIXRGOH-UHFFFAOYSA-N
Physicochemical Property
logP
2.7534
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
13

"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: 7059292
SID: 123048605
ChEMBL ID
CHEMBL2058633
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3019.95 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 933.25 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 5011.87 nM
   TI
   LI
   LO
   TS
Protein ID: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 77.62 nM
   TI
   LI
   LO
   TS