General Information of the Compound
Compound ID
CP0467502
Compound Name
6-methyl-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
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Structure
Formula
C14H19N5
Molecular Weight
257.341
Canonical SMILES
CN1CCN(CC1)c1nc(N)nc2ccc(C)cc12
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InChI
InChI=1S/C14H19N5/c1-10-3-4-12-11(9-10)13(17-14(15)16-12)19-7-5-18(2)6-8-19/h3-4,9H,5-8H2,1-2H3,(H2,15,16,17)
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InChIKey
HMXNGCFQXNDZFX-UHFFFAOYSA-N
Physicochemical Property
logP
1.27222
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
58.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 57395260
ChEMBL ID
CHEMBL1935563
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 = 649 nM
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