General Information of the Compound
Compound ID
CP0480502
Compound Name
(4-((1H-benzo[d]imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
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Structure
Formula
C26H25N3O
Molecular Weight
395.506
Canonical SMILES
O=C(N1CCC(Cc2nc3ccccc3[nH]2)CC1)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C26H25N3O/c30-26(22-12-10-21(11-13-22)20-6-2-1-3-7-20)29-16-14-19(15-17-29)18-25-27-23-8-4-5-9-24(23)28-25/h1-13,19H,14-18H2,(H,27,28)
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InChIKey
QRNIQBUVEAFDFW-UHFFFAOYSA-N
Physicochemical Property
logP
5.3248
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
48.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 44565846
SID: 99241046
ChEMBL ID
CHEMBL475406
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 = 2.3 nM
   TI
   LI
   LO
   TS
2
IC50 = 300 nM
   TI
   LI
   LO
   TS