General Information of the Compound
Compound ID
CP0419098
Compound Name
3-(3,4-Dihydronaphthalen-2-yl)pyridine
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Synonyms
3-(3,4-dihydronaphthalen-2-yl)pyridine
AC1O70H5
BDBM8889
CHEMBL205881
Dihydronaphthalene 2
SCHEMBL4508891
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Structure
Formula
C15H13N
Molecular Weight
207.276
Canonical SMILES
C1Cc2ccccc2C=C1c1cccnc1
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InChI
InChI=1S/C15H13N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-6,9-11H,7-8H2
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InChIKey
AXLDMZNUHQOZFK-UHFFFAOYSA-N
Physicochemical Property
logP
3.5684
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
12.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 6540047
SID: 16754784
ChEMBL ID
CHEMBL205881
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1729 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(3,4-dihydronaphthalen-2-yl)pyridine )
Drug Name 3-(3,4-dihydronaphthalen-2-yl)pyridine
Target(s)
Steroid 11-beta-hydroxylase (CYP11B1)
Inhibitor
Aromatase (CYP19A1)
Inhibitor