General Information of the Compound
Compound ID
CP0432713
Compound Name
4-(4-methylpiperazin-1-yl)quinazoline
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Structure
Formula
C13H16N4
Molecular Weight
228.299
Canonical SMILES
CN1CCN(CC1)c1ncnc2ccccc12
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InChI
InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-11-4-2-3-5-12(11)14-10-15-13/h2-5,10H,6-9H2,1H3
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InChIKey
RDYFSMILBPHDCN-UHFFFAOYSA-N
Physicochemical Property
logP
1.3816
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
32.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 21029584
ChEMBL ID
CHEMBL506969
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 328 nM
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