General Information of the Compound
Compound ID
CP0509153
Compound Name
2,2,2-trifluoro-N-((2,3-dihydro-1-(1H-imidazol-2-yl)-1H-inden-4-yl)methyl)ethanamine
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Structure
Formula
C15H16F3N3
Molecular Weight
295.308
Canonical SMILES
FC(F)(F)CNCc1cccc2C(CCc12)c1ncc[nH]1
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InChI
InChI=1S/C15H16F3N3/c16-15(17,18)9-19-8-10-2-1-3-12-11(10)4-5-13(12)14-20-6-7-21-14/h1-3,6-7,13,19H,4-5,8-9H2,(H,20,21)
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InChIKey
SFHYZESYKRBMLG-UHFFFAOYSA-N
Physicochemical Property
logP
3.1397
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 44571844
ChEMBL ID
CHEMBL448510
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 = 195 nM
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