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CRBN ligand-443

CAT: 0013-GTR19276763-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276763-01Size:10 mg
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Description
CRBN ligand-443 is an E3 ubiquitin ligase cereblon (CRBN) ligand, designed for recruiting cereblon protein. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925069-79-8
Smiles
O=CC1=CC=2C=C (C=CC2N1) N3C (=O) NC (=O) CC3
Molecular Formula
C13H11N3O3
Molecular Weight
257.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-2-carbaldehyde
CAS Number2925069-79-8
PubChem CID169548488
IUPAC Name5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-2-carbaldehyde
Molecular FormulaC13H11N3O3
Molecular Weight257.24
XLogP0.5
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity412
SMILES
C1CN(C(=O)NC1=O)C2=CC3=C(C=C2)NC(=C3)C=O
InChI
InChI=1S/C13H11N3O3/c17-7-9-5-8-6-10(1-2-11(8)14-9)16-4-3-12(18)15-13(16)19/h1-2,5-7,14H,3-4H2,(H,15,18,19)
InChIKey
LTLSSULEDGQWQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-dioxo-1,3-diazinan-1-yl)-1H-indole-2-carbaldehyde
CAS: 2925069-79-8
CID: 169548488
Formula: C13H11N3O3
MW: 257.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.24
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass257.08004122
Monoisotopic Mass257.08004122
Topological Polar Surface Area82.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity412
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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