General Information of the Compound
Compound ID
CP0373712
Compound Name
3-benzyl-1-(2-fluoro-benzyl)-8-(4-imidazol-1-yl-benzyl)-1,3,8-triaza-spiro[4.5]decane-2,4-dione
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Structure
Formula
C31H30FN5O2
Molecular Weight
523.612
Canonical SMILES
Fc1ccccc1CN1C(=O)N(Cc2ccccc2)C(=O)C11CCN(Cc2ccc(cc2)-n2ccnc2)CC1
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InChI
InChI=1S/C31H30FN5O2/c32-28-9-5-4-8-26(28)22-37-30(39)36(21-24-6-2-1-3-7-24)29(38)31(37)14-17-34(18-15-31)20-25-10-12-27(13-11-25)35-19-16-33-23-35/h1-13,16,19,23H,14-15,17-18,20-22H2
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InChIKey
ODLRYYFKCKZBFP-UHFFFAOYSA-N
Physicochemical Property
logP
5.0106
Rotatable Bonds
7
Heavy Atom Count
39
Polar Areas
61.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
39

"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: 44425796
ChEMBL ID
CHEMBL231044
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 = 150 nM
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   LI
   LO
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