General Information of the Compound
Compound ID
CP0375765
Compound Name
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-4-imidazol-1-yl-2-methyl-quinoline
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Structure
Formula
C19H14Cl2N4O
Molecular Weight
385.254
Canonical SMILES
Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1
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InChI
InChI=1S/C19H14Cl2N4O/c1-12-7-17(25-6-5-22-11-25)13-3-2-4-18(19(13)24-12)26-10-14-15(20)8-23-9-16(14)21/h2-9,11H,10H2,1H3
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InChIKey
KPMPNLLSGJJPGS-UHFFFAOYSA-N
Physicochemical Property
logP
5.00972
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
52.83
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 44191138
SID: 85186845
ChEMBL ID
CHEMBL559273
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: PT02392, B2 bradykinin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 580 nM
   TI
   LI
   LO
   TS
CL000837 HF1-5 Rattus norvegicus (Rat)  1
1
IC50 = 2500 nM
   TI
   LI
   LO
   TS