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1E7-03

CAT: 1410-M12234-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M12234-01Size:1 Each
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Description
1E7-03 is a small molecule targeting the RVxF interacting site on PP1, inhibits HIV-1, Ebolavirus (EBOV), and Venezuelan equine encephalitis virus (VEEV, EC50=0.6 uM) .
CAS Number
1565845-92-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
503.555
Molecular Formula
C28H29N3O6
Notes
Research use only, not for human use.
Receptor
HIV

Chemical Information

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CAS Number1565845-92-2
PubChem CID73296397
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Molecular FormulaC28H29N3O6
Molecular Weight503.5
XLogP4.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity863
SMILES
CCNC(=O)NC(=O)C(C)OC(=O)C1=C2CC/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=NC4=CC=CC=C41
InChI
InChI=1S/C28H29N3O6/c1-5-29-28(34)31-26(32)16(2)37-27(33)24-19-8-6-7-9-21(19)30-25-18(11-12-20(24)25)14-17-10-13-22(35-3)23(15-17)36-4/h6-10,13-16H,5,11-12H2,1-4H3,(H2,29,31,32,34)/b18-14+
InChIKey
PHJQCMBFMOQNFF-NBVRZTHBSA-N
Chemical Structure
2D Structure
2D structure of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CAS: 1565845-92-2
CID: 73296397
Formula: C28H29N3O6
MW: 503.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass503.20563565
Monoisotopic Mass503.20563565
Topological Polar Surface Area116 Ų
Heavy Atom Count37
Formal Charge0
Complexity863
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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