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E3 ligase Ligand 29

CAT: 0804-HY-163927Size: 1 EachDry Ice: NoHazardous: No
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Description
E3 ligase Ligand 29 is a ligand for E3 ligase.
CAS Number
2154341-52-1
UNSPSC
12352005
Target
Ligands for E3 Ligase
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e3-ligase-ligand-29.html
Smiles
O=C1NC(C(CC1)N2C(N(C)C3=C2C=CC=C3)=O)=O
Molecular Formula
C13H13N3O3
Molecular Weight
259.26
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Von Hippel-Lindau (VHL)

Chemical Information

E3 ligase Ligand 29
CAS Number2154341-52-1
PubChem CID138467239
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
Molecular FormulaC13H13N3O3
Molecular Weight259.26
XLogP0.2
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity437
SMILES
CN1C2=CC=CC=C2N(C1=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18)
InChIKey
VFDZUWPTOYTMAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of E3 ligase Ligand 29
CAS: 2154341-52-1
CID: 138467239
Formula: C13H13N3O3
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass259.09569129
Monoisotopic Mass259.09569129
Topological Polar Surface Area69.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity437
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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