General Information of the Compound
Compound ID
CP0393214
Compound Name
N,5-dimethyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
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Structure
Formula
C15H21N5
Molecular Weight
271.368
Canonical SMILES
CNc1nc(nc2cccc(C)c12)N1CCN(C)CC1
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InChI
InChI=1S/C15H21N5/c1-11-5-4-6-12-13(11)14(16-2)18-15(17-12)20-9-7-19(3)8-10-20/h4-6H,7-10H2,1-3H3,(H,16,17,18)
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InChIKey
CWEDRJVOSVCILZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.73172
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
44.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 25178938
SID: 57285141
ChEMBL ID
CHEMBL488885
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 630.96 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 691.83 nM
   TI
   LI
   LO
   TS