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CRBN ligand-413

CAT: 0013-GTR19277346-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277346-01Size:10 mg
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Description
CRBN ligand-413 is an E3 ubiquitin ligase cereblon (CRBN) ligand designed for the recruitment of cereblon protein. It can be connected to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925101-91-1
Smiles
O=CC1=CN=C2C=CC=C (C2=C1) N3C (=O) NC (=O) CC3
Molecular Formula
C14H11N3O3
Molecular Weight
269.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2,4-Dioxo-1,3-diazinan-1-yl)quinoline-3-carbaldehyde
CAS Number2925101-91-1
PubChem CID169548563
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)quinoline-3-carbaldehyde
Molecular FormulaC14H11N3O3
Molecular Weight269.25
XLogP0.3
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity426
SMILES
C1CN(C(=O)NC1=O)C2=CC=CC3=C2C=C(C=N3)C=O
InChI
InChI=1S/C14H11N3O3/c18-8-9-6-10-11(15-7-9)2-1-3-12(10)17-5-4-13(19)16-14(17)20/h1-3,6-8H,4-5H2,(H,16,19,20)
InChIKey
IBHPYLMJDSSTKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-Dioxo-1,3-diazinan-1-yl)quinoline-3-carbaldehyde
CAS: 2925101-91-1
CID: 169548563
Formula: C14H11N3O3
MW: 269.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.25
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass269.08004122
Monoisotopic Mass269.08004122
Topological Polar Surface Area79.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity426
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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