General Information of the Compound
Compound ID
CP0148168
Compound Name
6-morpholin-4-ylpyrimidine-4-carboxylic acid
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Structure
Formula
C9H11N3O3
Molecular Weight
209.205
Canonical SMILES
OC(=O)c1cc(ncn1)N1CCOCC1
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InChI
InChI=1S/C9H11N3O3/c13-9(14)7-5-8(11-6-10-7)12-1-3-15-4-2-12/h5-6H,1-4H2,(H,13,14)
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InChIKey
FIOMMYGNTCJCQK-UHFFFAOYSA-N
Physicochemical Property
logP
0.0114
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
75.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
15

"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: 57296890
ChEMBL ID
CHEMBL3407870
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: PT02724, Kynurenine 3-monooxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 16700 nM