General Information of the Compound
Compound ID
CP0573937
Compound Name
6-benzyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine
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Structure
Formula
C18H19N5O
Molecular Weight
321.384
Canonical SMILES
Nc1nc(N2CCOCC2)c2nc(Cc3ccccc3)ccc2n1
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InChI
InChI=1S/C18H19N5O/c19-18-21-15-7-6-14(12-13-4-2-1-3-5-13)20-16(15)17(22-18)23-8-10-24-11-9-23/h1-7H,8-12H2,(H2,19,21,22)
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InChIKey
FSXYQYLOFUAXTG-UHFFFAOYSA-N
Physicochemical Property
logP
2.0344
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
77.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 147562571
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: PT02160, Toll-like receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 25000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02546, Toll-like receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 25000 nM
   TI
   LI
   LO
   TS