General Information of the Compound
Compound ID
CP0673021
Compound Name
7-cyclopropyl-4-(3-(methylamino)azetidin-1-yl)quinazolin-2-amine
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Structure
Formula
C15H19N5
Molecular Weight
269.352
Canonical SMILES
CNC1CN(c2nc(N)nc3cc(C4CC4)ccc23)C1
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InChI
InChI=1S/C15H19N5/c1-17-11-7-20(8-11)14-12-5-4-10(9-2-3-9)6-13(12)18-15(16)19-14/h4-6,9,11,17H,2-3,7-8H2,1H3,(H2,16,18,19)
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InChIKey
ZFCRJYPCIGHGNV-UHFFFAOYSA-N
Physicochemical Property
logP
1.4974
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
67.07
Hydrogen Bond Donor Count
2
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: 71603140
SID: 163684431
ChEMBL ID
CHEMBL2376794
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 691.83 nM
   TI
   LI
   LO
   TS
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 = 7.079 nM
   TI
   LI
   LO
   TS