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E3 Ligand-Linker Conjugate 4

CAT: 0013-GTR19260213-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260213-01Size:100 mg
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Description
An E3 ligase ligand-linker conjugate for PROTAC...
CAS Number
2093388-45-3
Purity
>98%
Smiles
O=C1C2C=CC=C (CCCCCN) C=2CN1C1C (NC (CC1) =O) =O
Molecular Formula
C18H23N3O3
Molecular Weight
329.39352440834
Notes
For research use only.

Chemical Information

Lenalidomide-C5-NH2
CAS Number2093388-45-3
PubChem CID131986886
IUPAC Name3-[7-(5-aminopentyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC18H23N3O3
Molecular Weight329.4
XLogP0.8
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity508
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)CCCCCN
InChI
InChI=1S/C18H23N3O3/c19-10-3-1-2-5-12-6-4-7-13-14(12)11-21(18(13)24)15-8-9-16(22)20-17(15)23/h4,6-7,15H,1-3,5,8-11,19H2,(H,20,22,23)
InChIKey
ZZXXBKHLDNFHCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lenalidomide-C5-NH2
CAS: 2093388-45-3
CID: 131986886
Formula: C18H23N3O3
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass329.17394160
Monoisotopic Mass329.17394160
Topological Polar Surface Area92.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity508
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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