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CRBN ligand-317

CAT: 0013-GTR19276071-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276071-01Size:50 mg
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Description
CRBN ligand-317 is a ligand for the E3 ubiquitin ligase cereblon (CRBN), used for recruiting cereblon proteins. CRBN ligand-317 can be connected to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925079-32-7
Smiles
O=C1NC (=O) CCN1C2=CC=C (N) C=3C=NC=NC32
Molecular Formula
C12H11N5O2
Molecular Weight
257.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(5-Aminoquinazolin-8-yl)-1,3-diazinane-2,4-dione
CAS Number2925079-32-7
PubChem CID169548510
IUPAC Name1-(5-aminoquinazolin-8-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H11N5O2
Molecular Weight257.25
XLogP-0.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity388
SMILES
C1CN(C(=O)NC1=O)C2=C3C(=C(C=C2)N)C=NC=N3
InChI
InChI=1S/C12H11N5O2/c13-8-1-2-9(11-7(8)5-14-6-15-11)17-4-3-10(18)16-12(17)19/h1-2,5-6H,3-4,13H2,(H,16,18,19)
InChIKey
BCPXLXYQIAAIRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-Aminoquinazolin-8-yl)-1,3-diazinane-2,4-dione
CAS: 2925079-32-7
CID: 169548510
Formula: C12H11N5O2
MW: 257.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.25
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass257.09127461
Monoisotopic Mass257.09127461
Topological Polar Surface Area101 Ų
Heavy Atom Count19
Formal Charge0
Complexity388
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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