General Information of the Compound
Compound ID
CP0375055
Compound Name
1-((2,3-dihydro-1-(1H-imidazol-2-yl)-1H-inden-4-yl)methyl)-1H-1,2,3-triazole
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Structure
Formula
C15H15N5
Molecular Weight
265.32
Canonical SMILES
C(c1cccc2C(CCc12)c1ncc[nH]1)n1ccnn1
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InChI
InChI=1S/C15H15N5/c1-2-11(10-20-9-8-18-19-20)12-4-5-14(13(12)3-1)15-16-6-7-17-15/h1-3,6-9,14H,4-5,10H2,(H,16,17)
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InChIKey
NWOPXVBDDVLPJQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1276
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 44571890
ChEMBL ID
CHEMBL520117
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 = 90 nM
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