General Information of the Compound
Compound ID
CP0378316
Compound Name
6-chloro-8-methoxy-4,5-dimethyl-1,4-dihydroquinazolin-2-amine
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Structure
Formula
C11H14ClN3O
Molecular Weight
239.706
Canonical SMILES
COc1cc(Cl)c(C)c2C(C)NC(N)=Nc12
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InChI
InChI=1S/C11H14ClN3O/c1-5-7(12)4-8(16-3)10-9(5)6(2)14-11(13)15-10/h4,6H,1-3H3,(H3,13,14,15)
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InChIKey
VZZRHPWRULQIJU-UHFFFAOYSA-N
Physicochemical Property
logP
2.26742
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
59.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 16093485
SID: 24739764
ChEMBL ID
CHEMBL401745
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 105 nM
   TI
   LI
   LO
   TS
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 143 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 19 nM
   TI
   LI
   LO
   TS
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 = 4.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 2.5 nM
   TI
   LI
   LO
   TS