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Antitubercular agent-28

CAT: 0013-GTR19187750-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187750-02Size:50 mg
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Description
Antitubercular agent-28 is a potent small molecule active against drug-resistant Mycobacterium tuberculosis H37Rv, exhibiting an MIC of 4.5 μM. It demonstrates effective intracellular antibacterial activity with low cytotoxicity, making it a promising candidate for tuberculosis drug discovery research in both in vitro and in vivo experimental models.
CAS Number
2460651-10-7
Field of Research
Infectious Disease & Virology
Smiles
N (C (=O) C=1C=CN=CC1) N2C (=NC=3C (C2=O) =CC=CC3) C4CC4
Molecular Formula
C17H14N4O2
Molecular Weight
306.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antitubercular agent-28
CAS Number2460651-10-7
PubChem CID164517117
IUPAC NameN-(2-cyclopropyl-4-oxoquinazolin-3-yl)pyridine-4-carboxamide
Molecular FormulaC17H14N4O2
Molecular Weight306.32
XLogP1.4
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity523
SMILES
C1CC1C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C17H14N4O2/c22-16(12-7-9-18-10-8-12)20-21-15(11-5-6-11)19-14-4-2-1-3-13(14)17(21)23/h1-4,7-11H,5-6H2,(H,20,22)
InChIKey
VYZBEGVYSBLEHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antitubercular agent-28
CAS: 2460651-10-7
CID: 164517117
Formula: C17H14N4O2
MW: 306.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.32
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass306.11167570
Monoisotopic Mass306.11167570
Topological Polar Surface Area74.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity523
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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