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MK-4965

CAT: 0931-T33435-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33435-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
920035-77-4
Target
Others, Reverse Transcriptase, HIV Protease
Related Pathways
Microbiology/Virology, Others, Proteases/Proteasome
Bioactivity
MK-4965 is a new type of non-nucleoside reverse transcriptase inhibitor with antiviral activity.
Smiles
C(OC1=CC(OC2=CC(C#N)=CC(Cl)=C2)=C(Cl)C=C1)C=3C=4C(NN3)=NC(N)=CC4
Molecular Formula
C20H13Cl2N5O2
Molecular Weight
426.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MK-4965

MK-4965 is an HIV-1 reverse transcriptase inhibitor.

CAS Number920035-77-4
PubChem CID16045418
IUPAC Name3-[5-[(6-amino-2H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy]-5-chlorobenzonitrile
Molecular FormulaC20H13Cl2N5O2
Molecular Weight426.3
XLogP4.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity605
SMILES
C1=CC(=C(C=C1OCC2=C3C=CC(=NC3=NN2)N)OC4=CC(=CC(=C4)C#N)Cl)Cl
InChI
InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)
InChIKey
KXDIHAQCVNNLIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK-4965
CAS: 920035-77-4
CID: 16045418
Formula: C20H13Cl2N5O2
MW: 426.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.3
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass425.0446301
Monoisotopic Mass425.0446301
Topological Polar Surface Area110 Ų
Heavy Atom Count29
Formal Charge0
Complexity605
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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