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A 79175

CAT: 0931-T26448-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26448-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141579-87-5
Target
Others, Lipoxygenase
Related Pathways
Metabolism, Others
Bioactivity
A 79175 is a 5-lipoxygenase inhibitor that increases bone formation.
Smiles
O(C=1OC(C#C[C@H](N(C(N)=O)O)C)=CC1)C2=CC=C(F)C=C2
Molecular Formula
C15H13FN2O4
Molecular Weight
304.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Abbott-79175
CAS Number141579-87-5
PubChem CID178577
IUPAC Name1-[(2R)-4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]-1-hydroxyurea
Molecular FormulaC15H13FN2O4
Molecular Weight304.27
XLogP2
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
C[C@H](C#CC1=CC=C(O1)OC2=CC=C(C=C2)F)N(C(=O)N)O
InChI
InChI=1S/C15H13FN2O4/c1-10(18(20)15(17)19)2-5-12-8-9-14(21-12)22-13-6-3-11(16)4-7-13/h3-4,6-10,20H,1H3,(H2,17,19)/t10-/m1/s1
InChIKey
OLZHFFKRBCZHHT-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Abbott-79175
CAS: 141579-87-5
CID: 178577
Formula: C15H13FN2O4
MW: 304.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.27
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass304.08593506
Monoisotopic Mass304.08593506
Topological Polar Surface Area88.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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