General Information of the Compound
Compound ID
CP0303496
Compound Name
8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
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Structure
Formula
C24H28FN3O4
Molecular Weight
441.503
Canonical SMILES
CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1
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InChI
InChI=1S/C24H28FN3O4/c1-3-31-19-13-16(14-20(32-4-2)21(19)17-5-7-18(25)8-6-17)15-28-11-9-24(10-12-28)22(29)26-23(30)27-24/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2,26,27,29,30)
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InChIKey
WILOTRUGSQCRHL-UHFFFAOYSA-N
Physicochemical Property
logP
3.4641
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
79.9
Hydrogen Bond Donor Count
2
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).

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PubChem ID
CID: 25122324
SID: 56446530
ChEMBL ID
CHEMBL4289922
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: PT06443, Somatostatin receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 7.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 32 nM
   TI
   LI
   LO
   TS
Protein ID: PT01196, Somatostatin receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 83 nM
   TI
   LI
   LO
   TS
2
IC50 = 110 nM
   TI
   LI
   LO
   TS