General Information of the Compound
Compound ID
CP0437608
Compound Name
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(5-phenylpyridin-2-yl)methanone
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Structure
Formula
C24H22N4O
Molecular Weight
382.467
Canonical SMILES
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cn1)-c1ccccc1
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InChI
InChI=1S/C24H22N4O/c29-24(22-11-10-19(16-25-22)17-6-2-1-3-7-17)28-14-12-18(13-15-28)23-26-20-8-4-5-9-21(20)27-23/h1-11,16,18H,12-15H2,(H,26,27)
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InChIKey
XLAQCDVBVVLGIG-UHFFFAOYSA-N
Physicochemical Property
logP
4.6447
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
61.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 44565827
ChEMBL ID
CHEMBL472415
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 = 12 nM
   TI
   LI
   LO
   TS
2
IC50 > 2400 nM
   TI
   LI
   LO
   TS