General Information of the Compound
Compound ID
CP0551826
Compound Name
(5R)-5-[2-(4-fluorophenyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
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Structure
Formula
C18H15FN2
Molecular Weight
278.33
Canonical SMILES
Fc1ccc(cc1)-c1ccccc1[C@H]1CCc2cncn12
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InChI
InChI=1S/C18H15FN2/c19-14-7-5-13(6-8-14)16-3-1-2-4-17(16)18-10-9-15-11-20-12-21(15)18/h1-8,11-12,18H,9-10H2/t18-/m1/s1
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InChIKey
MJYUFUVTQSRGKQ-GOSISDBHSA-N
Physicochemical Property
logP
4.2248
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
17.82
Hydrogen Bond Donor Count
0
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: 76310076
ChEMBL ID
CHEMBL3099692
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: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000263 NCI-H295R Homo sapiens (Human)  1
1
IC50 = 140 nM
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