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NY0173

CAT: 0931-T70172-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70172-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1801911-86-3
Target
Others
Related Pathways
Others
Bioactivity
NY0173 is a potent exchange protein activated by cAMP antagonists.
Smiles
C(C(=NNC1=CC(Cl)=C(Cl)C(Cl)=C1)C#N)(=O)C=2C=C(ON2)C3CCCCC3
Molecular Formula
C18H15Cl3N4O2
Molecular Weight
425.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1E)-2-(5-cyclohexyl-1,2-oxazol-3-yl)-2-oxo-N-(3,4,5-trichloroanilino)ethanimidoyl cyanide
CAS Number1801911-86-3
PubChem CID122181944
IUPAC Name(1E)-2-(5-cyclohexyl-1,2-oxazol-3-yl)-2-oxo-N-(3,4,5-trichloroanilino)ethanimidoyl cyanide
Molecular FormulaC18H15Cl3N4O2
Molecular Weight425.7
XLogP7
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity605
SMILES
C1CCC(CC1)C2=CC(=NO2)C(=O)/C(=N/NC3=CC(=C(C(=C3)Cl)Cl)Cl)/C#N
InChI
InChI=1S/C18H15Cl3N4O2/c19-12-6-11(7-13(20)17(12)21)23-24-15(9-22)18(26)14-8-16(27-25-14)10-4-2-1-3-5-10/h6-8,10,23H,1-5H2/b24-15+
InChIKey
ZHJMSAMEGNFHCK-BUVRLJJBSA-N
Chemical Structure
2D Structure
2D structure of (1E)-2-(5-cyclohexyl-1,2-oxazol-3-yl)-2-oxo-N-(3,4,5-trichloroanilino)ethanimidoyl cyanide
CAS: 1801911-86-3
CID: 122181944
Formula: C18H15Cl3N4O2
MW: 425.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.7
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass424.026059
Monoisotopic Mass424.026059
Topological Polar Surface Area91.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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