General Information of the Compound
Compound ID
CP0785037
Compound Name
4-methyl-3,4-dihydroquinazolin-2-amine hydroiodide
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Structure
Formula
C9H12IN3
Molecular Weight
289.12
Canonical SMILES
CC1NC(N)=Nc2ccccc21.I
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InChI
InChI=1S/C9H11N3.HI/c1-6-7-4-2-3-5-8(7)12-9(10)11-6;/h2-6H,1H3,(H3,10,11,12);1H
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InChIKey
GTVYLQQFFYUFPY-UHFFFAOYSA-N
Physicochemical Property
logP
1.915
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 45265979
ChEMBL ID
CHEMBL541396
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: PT01513, 5-hydroxytryptamine receptor 5A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 38 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 38 nM