General Information of the Compound
Compound ID
CP0485130
Compound Name
(R)-2-(5-fluoro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
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Structure
Formula
C14H15FN2O
Molecular Weight
246.285
Canonical SMILES
COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1F
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InChI
InChI=1S/C14H15FN2O/c1-18-8-12-10-2-3-11(14-16-6-7-17-14)9(10)4-5-13(12)15/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m1/s1
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InChIKey
NEABEQDKTHRKNB-LLVKDONJSA-N
Physicochemical Property
logP
2.7733
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44571887
ChEMBL ID
CHEMBL502078
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 = 62 nM
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