General Information of the Compound
Compound ID
CP0409304
Compound Name
4-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]morpholine
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Structure
Formula
C25H28N2O4
Molecular Weight
420.509
Canonical SMILES
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C25H28N2O4/c1-17-21(18-5-7-20(8-6-18)27-9-11-31-12-10-27)15-26-16-22(17)19-13-23(28-2)25(30-4)24(14-19)29-3/h5-8,13-16H,9-12H2,1-4H3
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InChIKey
ARDORRMBSSVSKV-UHFFFAOYSA-N
Physicochemical Property
logP
4.58642
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
53.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 156016474
ChEMBL ID
CHEMBL4642622
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: PT01129, Activin receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 334 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 28 nM
Protein ID: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2356 nM