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CRBN ligand-595

CAT: 0013-GTR19276824-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276824-01Size:10 mg
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Description
CRBN ligand-595 is an E3 ubiquitin ligase cereblon (CRBN) ligand used for recruiting cereblon proteins. It can be linked to a target protein ligand via a linker to form a PROTAC.
CAS Number
2925075-31-4
Smiles
O=C1NC (=O) CCN1C2=CC=CC=3C (=NN (C32) C) N
Molecular Formula
C12H13N5O2
Molecular Weight
259.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(3-amino-1-methyl-1H-indazol-7-yl)-1,3-diazinane-2,4-dione
CAS Number2925075-31-4
PubChem CID169548530
IUPAC Name1-(3-amino-1-methylindazol-7-yl)-1,3-diazinane-2,4-dione
Molecular FormulaC12H13N5O2
Molecular Weight259.26
XLogP-0.1
Topological Polar Surface Area93.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity402
SMILES
CN1C2=C(C=CC=C2N3CCC(=O)NC3=O)C(=N1)N
InChI
InChI=1S/C12H13N5O2/c1-16-10-7(11(13)15-16)3-2-4-8(10)17-6-5-9(18)14-12(17)19/h2-4H,5-6H2,1H3,(H2,13,15)(H,14,18,19)
InChIKey
CXRREGGLMCJWCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-amino-1-methyl-1H-indazol-7-yl)-1,3-diazinane-2,4-dione
CAS: 2925075-31-4
CID: 169548530
Formula: C12H13N5O2
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass259.10692467
Monoisotopic Mass259.10692467
Topological Polar Surface Area93.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity402
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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