General Information of the Compound
Compound ID
CP0438394
Compound Name
5-fluoranyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
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Synonyms
4-Pyrimidinecarboxylic acid, 5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-
5-FOA
5-Fluoro orotate
5-Fluoro orotic acid
5-Fluoroorotate
5-Fluoroorotic acid
5-Fluoroorotic acid (VAN)
5-Fluorouracil-4-carboxylic acid
5-Fluorouracil-6-carboxylic Acid
5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
703-95-7
7IA9OUC93E
AI3-26398
EINECS 211-876-0
ENT-26398
FOA
Fluoroorotic acid
MLS000737636
NSC 31712
Orotic acid, 5-fluoro-
Ro 2-9945
SEHFUALWMUWDKS-UHFFFAOYSA-N
UNII-7IA9OUC93E
WR 152520
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Structure
Formula
C5H3FN2O4
Molecular Weight
174.087
Canonical SMILES
OC(=O)c1[nH]c(=O)[nH]c(=O)c1F
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InChI
InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
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InChIKey
SEHFUALWMUWDKS-UHFFFAOYSA-N
CAS
703-95-7
Physicochemical Property
logP
-1.0995
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
103.02
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 69711
SID: 15237848
ChEMBL ID
CHEMBL1232805
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: PT01214, Tyrosine-protein kinase JAK2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 6871 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-Fluoro orotate )
Drug Name 5-Fluoro orotate
Target(s)
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)
 Target Info 
Inhibitor