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RO5487624

CAT: 0931-T28605-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28605-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1399103-28-6
Target
Influenza Virus, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
RO5487624 is an inhibitor of Influenza A HA-Mediated Fusion.
Smiles
C(NC1=CC(S(N)(=O)=O)=C(Cl)C=C1)[C@]2(C)CC(C)(C)C[C@H](O)C2
Molecular Formula
C16H25ClN2O3S
Molecular Weight
360.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-chloro-5-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzenesulfonamide
CAS Number1399103-28-6
PubChem CID53475489
IUPAC Name2-chloro-5-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzenesulfonamide
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.9
XLogP3.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity520
SMILES
C[C@@]1(C[C@H](CC(C1)(C)C)O)CNC2=CC(=C(C=C2)Cl)S(=O)(=O)N
InChI
InChI=1S/C16H25ClN2O3S/c1-15(2)7-12(20)8-16(3,9-15)10-19-11-4-5-13(17)14(6-11)23(18,21)22/h4-6,12,19-20H,7-10H2,1-3H3,(H2,18,21,22)/t12-,16-/m0/s1
InChIKey
YSFDGLZSRNZXRG-LRDDRELGSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-5-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzenesulfonamide
CAS: 1399103-28-6
CID: 53475489
Formula: C16H25ClN2O3S
MW: 360.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.9
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass360.1274415
Monoisotopic Mass360.1274415
Topological Polar Surface Area101 Ų
Heavy Atom Count23
Formal Charge0
Complexity520
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-116182RO5487624

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