General Information of the Compound
Compound ID
CP0430150
Compound Name
5-phenyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
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Structure
Formula
C25H19N5
Molecular Weight
389.462
Canonical SMILES
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1ccncc1)c1ccccn1
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InChI
InChI=1S/C25H19N5/c1-2-7-18(8-3-1)21-10-6-11-22-23(21)25(28-17-20-9-4-5-14-27-20)30-24(29-22)19-12-15-26-16-13-19/h1-16H,17H2,(H,28,29,30)
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InChIKey
CSSODLHWNOUJBS-UHFFFAOYSA-N
Physicochemical Property
logP
5.3659
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
63.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 68204907
ChEMBL ID
CHEMBL4521294
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
CL000041 LTK- Mus musculus (Mouse)  1
1
IC50 = 40 nM
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   LI
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Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 6700 nM
   TI
   LI
   LO
   TS