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HLI98C

CAT: 0931-T27546-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27546-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
317326-90-2
Target
E1/E2/E3 Enzyme, MDM-2/p53, Others
Related Pathways
Apoptosis, Ubiquitination, Others
Bioactivity
HLI98C is a HDM2 ubiquitin ligase inhibitor with anti-tumor activity.
Smiles
O=C1C=2C(N(C=3C(C2)=CC(N(=O)=O)=CC3)C4=CC(Cl)=CC=C4)=NC(=O)N1
Molecular Formula
C17H9ClN4O4
Molecular Weight
368.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

10-(3-Chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
CAS Number317326-90-2
PubChem CID1114144
IUPAC Name10-(3-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
Molecular FormulaC17H9ClN4O4
Molecular Weight368.7
XLogP2.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity716
SMILES
C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O
InChI
InChI=1S/C17H9ClN4O4/c18-10-2-1-3-11(8-10)21-14-5-4-12(22(25)26)6-9(14)7-13-15(21)19-17(24)20-16(13)23/h1-8H,(H,20,23,24)
InChIKey
BRCGPVHRBGGGPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-(3-Chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
CAS: 317326-90-2
CID: 1114144
Formula: C17H9ClN4O4
MW: 368.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.7
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass368.0312325
Monoisotopic Mass368.0312325
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity716
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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