General Information of the Compound
Compound ID
CP0294523
Compound Name
2-morpholino-3-phenyl-1,1-di(pyridin-3-yl)propan-1-ol
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Structure
Formula
C23H25N3O2
Molecular Weight
375.472
Canonical SMILES
OC(C(Cc1ccccc1)N1CCOCC1)(c1cccnc1)c1cccnc1
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InChI
InChI=1S/C23H25N3O2/c27-23(20-8-4-10-24-17-20,21-9-5-11-25-18-21)22(26-12-14-28-15-13-26)16-19-6-2-1-3-7-19/h1-11,17-18,22,27H,12-16H2
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InChIKey
IOINRDOSUIAQPJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.656
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
58.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 11653686
SID: 16757200
ChEMBL ID
CHEMBL1091880
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4946 nM
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