General Information of the Compound
Compound ID
CP0467721
Compound Name
2-[4-(trifluoromethoxy)phenyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
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Structure
Formula
C14H11F3N2O3
Molecular Weight
312.247
Canonical SMILES
FC(F)(F)Oc1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
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InChI
InChI=1S/C14H11F3N2O3/c15-14(16,17)22-9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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InChIKey
BFFYBLQYHDJUMJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.4082
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
64.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 135741890
ChEMBL ID
CHEMBL2419707
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: PT05054, Protein Wnt-3a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1220 nM
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