General Information of the Compound
Compound ID
CP0481674
Compound Name
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
    Show/Hide
Structure
Formula
C24H28ClN
Molecular Weight
365.948
Canonical SMILES
CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(cc1)-c1ccc(Cl)cc1
    Show/Hide
InChI
InChI=1S/C24H28ClN/c1-24(2)21-11-8-20(23(24)14-21)16-26(3)15-17-4-6-18(7-5-17)19-9-12-22(25)13-10-19/h4-10,12-13,21,23H,11,14-16H2,1-3H3/t21-,23-/m0/s1
    Show/Hide
InChIKey
DODFQCGVPIJAQJ-GMAHTHKFSA-N
Physicochemical Property
logP
6.4312
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71461272
ChEMBL ID
CHEMBL2205072
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: PT03433, C-X-C chemokine receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 316.23 nM
   TI
   LI
   LO
   TS