Antiviral agent 43

CAT: 0931-T84821-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T84821-01Size:10 mg

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CAS Number

2739990-96-4

Target

Others, Influenza Virus

Related Pathways

Others, Microbiology/Virology

Bioactivity

Antiviral agent 43 (compound 16) serves as a potent, orally active inhibitor of influenza A virus entry, demonstrating efficacy by inhibiting the replication of the influenza A strains VH04-H5N1 and PR8-H1N1 with EC50 values of 240 nM and 72 nM, respectively [1].

Smiles

C(NC1CCN(C(C)(C)C)CC1)(=O)C2=C(Cl)C=C(C(F)(F)F)C=C2

Molecular Formula

C17H22ClF3N2O

Molecular Weight

362.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Antiviral agent 43

CAS Number	2739990-96-4
PubChem CID	155511239
IUPAC Name	N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide
Molecular Formula	C17H22ClF3N2O
Molecular Weight	362.8
XLogP	4.3
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	442

SMILES

CC(C)(C)N1CCC(CC1)NC(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C17H22ClF3N2O/c1-16(2,3)23-8-6-12(7-9-23)22-15(24)13-5-4-11(10-14(13)18)17(19,20)21/h4-5,10,12H,6-9H2,1-3H3,(H,22,24)

InChIKey

SLXIKWBDOABMIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2739990-96-4

CID: 155511239

Formula: C17H22ClF3N2O

MW: 362.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	362.8
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	362.1372755
Monoisotopic Mass	362.1372755
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	442
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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