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SHR5133

CAT: 0931-T62505-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62505-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2270943-23-0
Target
Others, HBV
Related Pathways
Others, Microbiology/Virology
Bioactivity
SHR5133 is a potent, orally active regulator of HBV capsid assembly that reduces HBV DNA (EC50: 26.6 nM) .
Smiles
C(N[C@@H](C(F)(F)F)C)(=O)C1=C2N(C[C@H](C)N(C(NC3=CC(C#N)=C(F)C=C3)=O)C2)C=N1
Molecular Formula
C19H18F4N6O2
Molecular Weight
438.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
CAS Number2270943-23-0
PubChem CID137452725
IUPAC Name(6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
Molecular FormulaC19H18F4N6O2
Molecular Weight438.4
XLogP1.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity741
SMILES
C[C@H]1CN2C=NC(=C2CN1C(=O)NC3=CC(=C(C=C3)F)C#N)C(=O)N[C@H](C)C(F)(F)F
InChI
InChI=1S/C19H18F4N6O2/c1-10-7-28-9-25-16(17(30)26-11(2)19(21,22)23)15(28)8-29(10)18(31)27-13-3-4-14(20)12(5-13)6-24/h3-5,9-11H,7-8H2,1-2H3,(H,26,30)(H,27,31)/t10-,11+/m0/s1
InChIKey
OZIBIXCYSAMOHV-WDEREUQCSA-N
Chemical Structure
2D Structure
2D structure of (6S)-7-N-(3-cyano-4-fluorophenyl)-6-methyl-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
CAS: 2270943-23-0
CID: 137452725
Formula: C19H18F4N6O2
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass438.14273649
Monoisotopic Mass438.14273649
Topological Polar Surface Area103 Ų
Heavy Atom Count31
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-144319SHR5133

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