General Information of the Compound
Compound ID
CP0404102
Compound Name
2-N-[4-(diethylamino)phenyl]-4-N-phenylquinazoline-2,4-diamine
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Structure
Formula
C24H25N5
Molecular Weight
383.499
Canonical SMILES
CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
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InChI
InChI=1S/C24H25N5/c1-3-29(4-2)20-16-14-19(15-17-20)26-24-27-22-13-9-8-12-21(22)23(28-24)25-18-10-6-5-7-11-18/h5-17H,3-4H2,1-2H3,(H2,25,26,27,28)
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InChIKey
QQZFPVUEXCTKSA-UHFFFAOYSA-N
Physicochemical Property
logP
5.9632
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
53.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 44271487
ChEMBL ID
CHEMBL279408
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
IC50 = 4 nM
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