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PF-06840003 10mg

CAT: 0628-A20807-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20807-10Size:10 mg
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CAS Number
198474-05-4

Chemical Information

Pf-06840003

Pf-06840003 is iDO1 Inhibitor PF-06840003 is an orally available hydroxyamidine and inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1), with potential immunomodulating and antineoplastic activities. Upon administration, IDO1 inhibitor PF-06840003 targets and binds to IDO1, an enzyme responsible for the oxidation of tryptophan into kynurenine.

CAS Number198474-05-4
PubChem CID23063810
IUPAC Name3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
Molecular FormulaC12H9FN2O2
Molecular Weight232.21
XLogP0.9
Topological Polar Surface Area62
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity360
SMILES
C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F
InChI
InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
InChIKey
MXKLDYKORJEOPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pf-06840003
CAS: 198474-05-4
CID: 23063810
Formula: C12H9FN2O2
MW: 232.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight232.21
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass232.06480570
Monoisotopic Mass232.06480570
Topological Polar Surface Area62 Ų
Heavy Atom Count17
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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