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Venadaparib hydrochloride

CAT: 0931-T39147Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T39147Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1681020-60-9
Target
Others, PARP
Related Pathways
DNA Damage/DNA Repair, Others, Chromatin/Epigenetic
Bioactivity
Venadaparib hydrochloride (IDX-1197) is a potent and selective PARP inhibitor exhibiting significant anticancer properties, particularly effective in solid tumor research.
Smiles
Cl.Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CC(CNC2CC2)C1
Molecular Formula
C23H24ClFN4O2
Molecular Weight
442.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Venadaparib hydrochloride
CAS Number1681020-60-9
PubChem CID117955897
IUPAC Name4-[[3-[3-[(cyclopropylamino)methyl]azetidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;hydrochloride
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.9
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity703
SMILES
C1CC1NCC2CN(C2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F.Cl
InChI
InChI=1S/C23H23FN4O2.ClH/c24-20-8-5-14(10-21-17-3-1-2-4-18(17)22(29)27-26-21)9-19(20)23(30)28-12-15(13-28)11-25-16-6-7-16;/h1-5,8-9,15-16,25H,6-7,10-13H2,(H,27,29);1H
InChIKey
FSVSACOGQQIXAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Venadaparib hydrochloride
CAS: 1681020-60-9
CID: 117955897
Formula: C23H24ClFN4O2
MW: 442.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass442.1571819
Monoisotopic Mass442.1571819
Topological Polar Surface Area73.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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