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ABT-002

CAT: 0013-GTR19264225-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264225-02Size:50 mg
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Description
ABT-002 is a molecular glue degrader that targets GSPT1 and NEK7, and it shows promise for research in hepatocellular carcinoma (HCC) .
CAS Number
2438239-83-7
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C (O) C=1C=C2C (=CC1F) C (=O) N (C2) C3C (=O) NC (=O) CC3
Molecular Formula
C14H11FN2O5
Molecular Weight
306.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2,6-Dioxo-3-piperidyl)-6-fluoro-1-oxo-isoindoline-5-carboxylic acid
CAS Number2438239-83-7
PubChem CID155338791
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindole-5-carboxylic acid
Molecular FormulaC14H11FN2O5
Molecular Weight306.25
XLogP-0.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity551
SMILES
C1CC(=O)NC(=O)C1N2CC3=CC(=C(C=C3C2=O)F)C(=O)O
InChI
InChI=1S/C14H11FN2O5/c15-9-4-7-6(3-8(9)14(21)22)5-17(13(7)20)10-1-2-11(18)16-12(10)19/h3-4,10H,1-2,5H2,(H,21,22)(H,16,18,19)
InChIKey
OBCYSDKGKQWABZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dioxo-3-piperidyl)-6-fluoro-1-oxo-isoindoline-5-carboxylic acid
CAS: 2438239-83-7
CID: 155338791
Formula: C14H11FN2O5
MW: 306.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.25
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass306.06519962
Monoisotopic Mass306.06519962
Topological Polar Surface Area104 Ų
Heavy Atom Count22
Formal Charge0
Complexity551
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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