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NIOCH 14

CAT: 0931-T61824-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T61824-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1268015-38-8
Target
Virus Protease
Related Pathways
Microbiology/Virology
Purity
0.98
Bioactivity
NIOCH 14 is an orally available antiviral compound that inhibits external keratovirus, poxvirus, and smallpox virus.
Smiles
O=C(O)C1C2C=CC(C1C(=O)NNC(=O)C3=CC=C(C=C3)C(F)(F)F)C4CC24
Molecular Formula
C19H17F3N2O4
Molecular Weight
394.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nioch 14
CAS Number1268015-38-8
PubChem CID57330419
IUPAC Name7-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
Molecular FormulaC19H17F3N2O4
Molecular Weight394.3
XLogP2.4
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity714
SMILES
C1C2C1C3C=CC2C(C3C(=O)O)C(=O)NNC(=O)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C19H17F3N2O4/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(27)28/h1-6,10-15H,7H2,(H,23,25)(H,24,26)(H,27,28)
InChIKey
YDHJUPUAMAWEOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nioch 14
CAS: 1268015-38-8
CID: 57330419
Formula: C19H17F3N2O4
MW: 394.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.3
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass394.11404151
Monoisotopic Mass394.11404151
Topological Polar Surface Area95.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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