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Antimalarial agent 29

CAT: 0013-GTR19219014-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219014-03Size:100 mg
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Description
Compound 29 (also known as Compound 16) is a small molecule antimalarial agent effective against the liver stage of Plasmodium berghei with an EC50 of 5.2 μM. It is a useful research tool for studying malaria parasite biology and for evaluating antimalarial drug candidates in both in vitro and in vivo experimental models.
CAS Number
2821078-81-1
Field of Research
Infectious Disease & Virology
Smiles
ClC=1C=C2C=3C (=C (N=CC3) C4=CC (C (F) (F) F) =CC=C4) NC2=CC1
Molecular Formula
C18H10ClF3N2
Molecular Weight
346.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antimalarial agent 29
CAS Number2821078-81-1
PubChem CID168510585
IUPAC Name6-chloro-1-[3-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indole
Molecular FormulaC18H10ClF3N2
Molecular Weight346.7
XLogP5.5
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity458
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC=CC3=C2NC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C18H10ClF3N2/c19-12-4-5-15-14(9-12)13-6-7-23-16(17(13)24-15)10-2-1-3-11(8-10)18(20,21)22/h1-9,24H
InChIKey
MWRDJWDOACIZJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antimalarial agent 29
CAS: 2821078-81-1
CID: 168510585
Formula: C18H10ClF3N2
MW: 346.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.7
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass346.0484605
Monoisotopic Mass346.0484605
Topological Polar Surface Area28.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity458
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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