General Information of the Compound
Compound ID
CP0554847
Compound Name
5-[(1R,3S)-3-(3,5-Dichloro-phenyl)-2,2-dimethyl-cyclopropyl]-4-methyl-1H-imidazole
    Show/Hide
Structure
Formula
C15H16Cl2N2
Molecular Weight
295.213
Canonical SMILES
Cc1nc[nH]c1[C@@H]1[C@@H](c2cc(Cl)cc(Cl)c2)C1(C)C
    Show/Hide
InChI
InChI=1S/C15H16Cl2N2/c1-8-14(19-7-18-8)13-12(15(13,2)3)9-4-10(16)6-11(17)5-9/h4-7,12-13H,1-3H3,(H,18,19)/t12-,13+/m1/s1
    Show/Hide
InChIKey
UFTZQKIGHIEBIS-OLZOCXBDSA-N
Physicochemical Property
logP
4.93212
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
19

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44295947
ChEMBL ID
CHEMBL301286
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: PT03805, Sodium/hydrogen exchanger 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000429 AP-1 Homo sapiens (Human)  1
1
IC50 = 950 nM
   TI
   LI
   LO
   TS