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SMARCA2 ligand-7

CAT: 0804-HY-159544Size: 1 EachDry Ice: NoHazardous: No
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Description
SMARCA2 ligand-7 is a ligand for target protein for pROTAC.
CAS Number
2568281-41-2
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/smarca2-ligand-7.html
Smiles
NC1=C(C=C(C2=C(C=CC=C2)O)N=N1)N3CC4N(C5=NC=C(C6CCC(CC6)=O)C=N5)C(CC4)C3
Molecular Formula
C26H29N7O2
Molecular Weight
471.55
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SMARCA2 ligand-7
CAS Number2568281-41-2
PubChem CID155391228
IUPAC Name4-[2-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidin-5-yl]cyclohexan-1-one
Molecular FormulaC26H29N7O2
Molecular Weight471.6
XLogP2
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity723
SMILES
C1CC2CN(CC1N2C3=NC=C(C=N3)C4CCC(=O)CC4)C5=CC(=NN=C5N)C6=CC=CC=C6O
InChI
InChI=1S/C26H29N7O2/c27-25-23(11-22(30-31-25)21-3-1-2-4-24(21)35)32-14-18-7-8-19(15-32)33(18)26-28-12-17(13-29-26)16-5-9-20(34)10-6-16/h1-4,11-13,16,18-19,35H,5-10,14-15H2,(H2,27,31)
InChIKey
MPQKIBCLBHJPKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SMARCA2 ligand-7
CAS: 2568281-41-2
CID: 155391228
Formula: C26H29N7O2
MW: 471.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.6
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass471.23827319
Monoisotopic Mass471.23827319
Topological Polar Surface Area121 Ų
Heavy Atom Count35
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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