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Antimalarial agent 30

CAT: 1410-M37241-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M37241-02Size:5 mg
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Description
Antimalarial agent 30 has anti-Plasmodium berghei liver stage parasite activity and antimalarial activity for the study of malarial infections.
CAS Number
1597425-64-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
312.29
Molecular Formula
C18H11F3N2
Notes
Research use only, not for human use.
Receptor
Parasite

Chemical Information

1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indole
CAS Number1597425-64-3
PubChem CID46868970
IUPAC Name1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indole
Molecular FormulaC18H11F3N2
Molecular Weight312.3
XLogP4.9
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity417
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C18H11F3N2/c19-18(20,21)12-7-5-11(6-8-12)16-17-14(9-10-22-16)13-3-1-2-4-15(13)23-17/h1-10,23H
InChIKey
UWDNDJVFLNIMHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indole
CAS: 1597425-64-3
CID: 46868970
Formula: C18H11F3N2
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass312.08743285
Monoisotopic Mass312.08743285
Topological Polar Surface Area28.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity417
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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