General Information of the Compound
Compound ID
CP0386335
Compound Name
N-[1-(1H-imidazol-2-yl)-2,3-dihydro-1H-inden-4-yl]methanesulfonamide
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Structure
Formula
C13H15N3O2S
Molecular Weight
277.349
Canonical SMILES
CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1
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InChI
InChI=1S/C13H15N3O2S/c1-19(17,18)16-12-4-2-3-9-10(12)5-6-11(9)13-14-7-8-15-13/h2-4,7-8,11,16H,5-6H2,1H3,(H,14,15)
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InChIKey
QAFWYWHBAHTELS-UHFFFAOYSA-N
Physicochemical Property
logP
1.8593
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 44449304
ChEMBL ID
CHEMBL257800
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: PT01089, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 70 nM
   TI
   LI
   LO
   TS
Protein ID: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS