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DHODH-IN-15

CAT: 0931-T11024-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11024-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1364791-88-7
Target
DNA/RNA Synthesis, Dehydrogenase
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Metabolism
Purity
0.998
Bioactivity
DHODH-IN-15 is the hydroxyfuran analogue of A771726. DHODH-IN-15 is a dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 11 μM for rat liver DHODH. DHODH-IN-15 can be used for rheumatoid arthritis.
Smiles
N(C(=O)C=1C(=O)NON1)C2=CC=C(C=C2)C3=CC=CC=C3
Molecular Formula
C15H11N3O3
Molecular Weight
281.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dhodh-IN-15
CAS Number1364791-88-7
PubChem CID57381309
IUPAC Name4-oxo-N-(4-phenylphenyl)-1,2,5-oxadiazole-3-carboxamide
Molecular FormulaC15H11N3O3
Molecular Weight281.27
XLogP2.7
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity435
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=NONC3=O
InChI
InChI=1S/C15H11N3O3/c19-14(13-15(20)18-21-17-13)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,16,19)(H,18,20)
InChIKey
AIEVBDCDOIKIIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dhodh-IN-15
CAS: 1364791-88-7
CID: 57381309
Formula: C15H11N3O3
MW: 281.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.27
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass281.08004122
Monoisotopic Mass281.08004122
Topological Polar Surface Area79.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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