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5-ClTEP

CAT: 0931-T68414-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T68414-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
900779-63-7
Target
Others
Related Pathways
Others
Bioactivity
5-ClTEP is a HIV-1 integrase inhibitor.
Smiles
C(C=C(O)C=1NN=NN1)(=O)C=2NC=3C(C2)=CC(Cl)=CC3
Molecular Formula
C12H8ClN5O2
Molecular Weight
289.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5 Citep
CAS Number900779-63-7
PubChem CID15965456
IUPAC Name(Z)-3-(5-chloro-1H-indol-2-yl)-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
Molecular FormulaC12H8ClN5O2
Molecular Weight289.68
XLogP2.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity419
SMILES
C1=CC2=C(C=C1Cl)C=C(N2)/C(=C/C(=O)C3=NNN=N3)/O
InChI
InChI=1S/C12H8ClN5O2/c13-7-1-2-8-6(3-7)4-9(14-8)10(19)5-11(20)12-15-17-18-16-12/h1-5,14,19H,(H,15,16,17,18)/b10-5-
InChIKey
MZARXFOBHIWWID-YHYXMXQVSA-N
Chemical Structure
2D Structure
2D structure of 5 Citep
CAS: 900779-63-7
CID: 15965456
Formula: C12H8ClN5O2
MW: 289.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.68
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass289.0366522
Monoisotopic Mass289.0366522
Topological Polar Surface Area108 Ų
Heavy Atom Count20
Formal Charge0
Complexity419
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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Alternative Products

CatalogName
GTR19211624-015-ClTEP
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