General Information of the Compound
Compound ID
CP0458118
Compound Name
2-morpholin-4-yl-1-(2,4,6-trimethoxyphenyl)ethanone
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Structure
Formula
C15H21NO5
Molecular Weight
295.335
Canonical SMILES
COc1cc(OC)c(C(=O)CN2CCOCC2)c(OC)c1
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InChI
InChI=1S/C15H21NO5/c1-18-11-8-13(19-2)15(14(9-11)20-3)12(17)10-16-4-6-21-7-5-16/h8-9H,4-7,10H2,1-3H3
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InChIKey
OLRRFPOSFYSHOX-UHFFFAOYSA-N
Physicochemical Property
logP
1.2273
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
57.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 93191532
ChEMBL ID
CHEMBL3947110
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: PT02255, Proto-oncogene tyrosine-protein kinase Src
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 32400 nM
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