General Information of the Compound
Compound ID
CP0887579
Compound Name
SID26659403
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Structure
Formula
C11H14ClN
Molecular Weight
195.693
Canonical SMILES
C1=C(c2ccccc2)CCNC1.Cl
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InChI
InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H
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InChIKey
POGWXTJNUCZEPR-UHFFFAOYSA-N
Physicochemical Property
logP
2.4851
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
12.03
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: 45108282
ChEMBL ID
CHEMBL1901802
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: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 2450 nM
   TI
   LI
   LO
   TS
2
Ki = 7180 nM
   TI
   LI
   LO
   TS