General Information of the Compound
Compound ID
CP0893283
Compound Name
5-methyl-3,4-dihydroquinazolin-2-amine hydroiodide
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Structure
Formula
C9H12IN3
Molecular Weight
289.12
Canonical SMILES
Cc1cccc2c1CNC(N)=N2.I
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InChI
InChI=1S/C9H11N3.HI/c1-6-3-2-4-8-7(6)5-11-9(10)12-8;/h2-4H,5H2,1H3,(H3,10,11,12);1H
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InChIKey
GWAOJQSISFXBTD-UHFFFAOYSA-N
Physicochemical Property
logP
1.66242
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: 45263887
ChEMBL ID
CHEMBL537248
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 = 145 nM
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