General Information of the Compound
Compound ID
CP0548967
Compound Name
2-(1-(biphenyl-4-ylmethyl)piperidin-4-yl)-1H-benzo[d]imidazole
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Structure
Formula
C25H25N3
Molecular Weight
367.496
Canonical SMILES
C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C25H25N3/c1-2-6-20(7-3-1)21-12-10-19(11-13-21)18-28-16-14-22(15-17-28)25-26-23-8-4-5-9-24(23)27-25/h1-13,22H,14-18H2,(H,26,27)
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InChIKey
HRTRXHZNKXBTQA-UHFFFAOYSA-N
Physicochemical Property
logP
5.6095
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 44565639
ChEMBL ID
CHEMBL473387
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: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 65 nM
   TI
   LI
   LO
   TS
2
IC50 = 7300 nM
   TI
   LI
   LO
   TS