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L 738372

CAT: 0013-GTR19200049-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200049-02Size:50 mg
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Description
L 738372 is a non-nucleoside reverse transcriptase inhibitor (NNRTI) targeting HIV-1. This small molecule is utilized in biochemical and antiviral research to study viral replication mechanisms and inhibitor resistance profiles in both cellular and enzymatic assays.
CAS Number
159565-60-3
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
C (#CC1=CC=CC=N1) [C@]2 (C=3C (NC (=O) N2) =CC=CC3) C4CC4
Molecular Formula
C18H15N3O
Molecular Weight
289.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

L 738372

a quinazolinone; a non-nucleoside inhibitor of HIV-1 reverse transcriptase; structure given in first source

CAS Number159565-60-3
PubChem CID72417
IUPAC Name(4S)-6-chloro-4-cyclopropyl-4-(2-pyridin-2-ylethynyl)-1,3-dihydroquinazolin-2-one
Molecular FormulaC18H14ClN3O
Molecular Weight323.8
XLogP2.8
Topological Polar Surface Area54
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity549
SMILES
C1CC1[C@@]2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=CC=CC=N4
InChI
InChI=1S/C18H14ClN3O/c19-13-6-7-16-15(11-13)18(12-4-5-12,22-17(23)21-16)9-8-14-3-1-2-10-20-14/h1-3,6-7,10-12H,4-5H2,(H2,21,22,23)/t18-/m1/s1
InChIKey
VQWNFBGVGJSEIS-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of L 738372
CAS: 159565-60-3
CID: 72417
Formula: C18H14ClN3O
MW: 323.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.8
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass323.0825398
Monoisotopic Mass323.0825398
Topological Polar Surface Area54 Ų
Heavy Atom Count23
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-116973L 738372

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