General Information of the Compound
Compound ID
CP0450266
Compound Name
1-Cyclohexyl-8-methyl-3-(2-oxo-propyl)-1,3,8-triaza-spiro[4.5]decan-4-one
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Structure
Formula
C17H29N3O2
Molecular Weight
307.438
Canonical SMILES
CN1CCC2(CC1)N(CN(CC(C)=O)C2=O)C1CCCCC1
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InChI
InChI=1S/C17H29N3O2/c1-14(21)12-19-13-20(15-6-4-3-5-7-15)17(16(19)22)8-10-18(2)11-9-17/h15H,3-13H2,1-2H3
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InChIKey
BYEAJQDVLRJCFO-UHFFFAOYSA-N
Physicochemical Property
logP
1.4742
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
43.86
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44337490
ChEMBL ID
CHEMBL110188
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: PT02392, B2 bradykinin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.57 nM
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   LI
   LO
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