General Information of the Compound
Compound ID
CP0486189
Compound Name
1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
    Show/Hide
Structure
Formula
C24H24FN5O2
Molecular Weight
433.487
Canonical SMILES
Fc1ccccc1CN1C(=O)NC(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1
    Show/Hide
InChI
InChI=1S/C24H24FN5O2/c25-21-4-2-1-3-19(21)16-30-23(32)27-22(31)24(30)9-12-28(13-10-24)15-18-5-7-20(8-6-18)29-14-11-26-17-29/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,27,31,32)
    Show/Hide
InChIKey
UZBSSSZMVKCYFL-UHFFFAOYSA-N
Physicochemical Property
logP
3.098
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
70.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 44425790
ChEMBL ID
CHEMBL388491
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2100 nM
   TI
   LI
   LO
   TS