General Information of the Compound
Compound ID
CP0485101
Compound Name
3-oxo-1,2-diphenyl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
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Structure
Formula
C27H24F3N3O2
Molecular Weight
479.502
Canonical SMILES
FC(F)(F)c1ccc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccccc2)c2ccccc2)cc1
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InChI
InChI=1S/C27H24F3N3O2/c28-27(29,30)20-11-13-21(14-12-20)31-25(35)32-17-15-26(16-18-32)23(19-7-3-1-4-8-19)33(24(26)34)22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,31,35)
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InChIKey
ABYKYGKCFPHLBN-UHFFFAOYSA-N
Physicochemical Property
logP
6.1076
Rotatable Bonds
3
Heavy Atom Count
35
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
35

"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: 24952933
SID: 56250758
ChEMBL ID
CHEMBL479851
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 85 nM
   TI
   LI
   LO
   TS
2
IC50 = 103 nM
   TI
   LI
   LO
   TS