General Information of the Compound
Compound ID
CP0400214
Compound Name
5-(imidazol-1-ylmethyl)-2-naphthalen-2-ylpyridine
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Structure
Formula
C19H15N3
Molecular Weight
285.35
Canonical SMILES
C(c1ccc(nc1)-c1ccc2ccccc2c1)n1ccnc1
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InChI
InChI=1S/C19H15N3/c1-2-4-17-11-18(7-6-16(17)3-1)19-8-5-15(12-21-19)13-22-10-9-20-14-22/h1-12,14H,13H2
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InChIKey
LRTLFSHCMRWKGY-UHFFFAOYSA-N
Physicochemical Property
logP
4.1466
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 57329709
SID: 136331918
ChEMBL ID
CHEMBL2011254
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
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 246 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 782 nM
   TI
   LI
   LO
   TS