General Information of the Compound
Compound ID
CP0462492
Compound Name
4-benzyl-1-[(5,5-diphenyloxolan-2-yl)methyl]piperidine
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Structure
Formula
C29H33NO
Molecular Weight
411.589
Canonical SMILES
C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
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InChI
InChI=1S/C29H33NO/c1-4-10-24(11-5-1)22-25-17-20-30(21-18-25)23-28-16-19-29(31-28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28H,16-23H2
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InChIKey
BJDXGMTWLRAACB-UHFFFAOYSA-N
Physicochemical Property
logP
6.0639
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
31

"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: 127027195
ChEMBL ID
CHEMBL3769801
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS