General Information of the Compound
Compound ID
CP0222489
Compound Name
N-ethyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide
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Structure
Formula
C19H23N3O3
Molecular Weight
341.411
Canonical SMILES
CCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CCc1ccccc1
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InChI
InChI=1S/C19H23N3O3/c1-2-22(18(23)9-8-14-6-4-3-5-7-14)12-17-20-16-10-11-25-13-15(16)19(24)21-17/h3-7H,2,8-13H2,1H3,(H,20,21,24)
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InChIKey
WEFMFNDPSRZTQZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.8239
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
75.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 136232694
SID: 163463613
ChEMBL ID
CHEMBL2419713
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 > 50000 nM
   TI
   LI
   LO
   TS