General Information of the Compound
Compound ID
CP0534019
Compound Name
5,6-dimethyl-4-phenoxythieno[2,3-d]pyrimidine
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Structure
Formula
C14H12N2OS
Molecular Weight
256.33
Canonical SMILES
Cc1sc2ncnc(Oc3ccccc3)c2c1C
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InChI
InChI=1S/C14H12N2OS/c1-9-10(2)18-14-12(9)13(15-8-16-14)17-11-6-4-3-5-7-11/h3-8H,1-2H3
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InChIKey
PPXVROZJDAUPPS-UHFFFAOYSA-N
Physicochemical Property
logP
4.10044
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
35.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 2686389
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: PT04369, Mas-related G-protein coupled receptor member X1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1600 nM
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