General Information of the Compound
Compound ID
CP0444580
Compound Name
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-morpholinophenyl)methanone
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Structure
Formula
C23H26N4O2
Molecular Weight
390.487
Canonical SMILES
O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C23H26N4O2/c28-23(18-5-7-19(8-6-18)26-13-15-29-16-14-26)27-11-9-17(10-12-27)22-24-20-3-1-2-4-21(20)25-22/h1-8,17H,9-16H2,(H,24,25)
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InChIKey
FFBYVVBYIAHEHA-UHFFFAOYSA-N
Physicochemical Property
logP
3.4193
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
61.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44565807
ChEMBL ID
CHEMBL474840
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 = 2300 nM
   TI
   LI
   LO
   TS
2
IC50 > 26000 nM
   TI
   LI
   LO
   TS