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GSK3186899 1mg

CAT: 0628-A19884-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A19884-1Size:1 mg
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CAS Number
1972617-87-0

Chemical Information

3,3,3-trifluoro-N-(4-((3-((2S)-2-methylmorpholin-4-yl)-1H-pyrazolo(3,4-d)pyrimidin-6-yl)amino)cyclohexyl)propane-1-sulfonamide
CAS Number1972617-87-0
PubChem CID122429808
IUPAC Name3,3,3-trifluoro-N-[4-[[3-[(2S)-2-methylmorpholin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclohexyl]propane-1-sulfonamide
Molecular FormulaC19H28F3N7O3S
Molecular Weight491.5
XLogP2.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity746
SMILES
C[C@H]1CN(CCO1)C2=NNC3=NC(=NC=C32)NC4CCC(CC4)NS(=O)(=O)CCC(F)(F)F
InChI
InChI=1S/C19H28F3N7O3S/c1-12-11-29(7-8-32-12)17-15-10-23-18(25-16(15)26-27-17)24-13-2-4-14(5-3-13)28-33(30,31)9-6-19(20,21)22/h10,12-14,28H,2-9,11H2,1H3,(H2,23,24,25,26,27)/t12-,13?,14?/m0/s1
InChIKey
RQWCISVRFNZHMJ-HSBZDZAISA-N
Chemical Structure
2D Structure
2D structure of 3,3,3-trifluoro-N-(4-((3-((2S)-2-methylmorpholin-4-yl)-1H-pyrazolo(3,4-d)pyrimidin-6-yl)amino)cyclohexyl)propane-1-sulfonamide
CAS: 1972617-87-0
CID: 122429808
Formula: C19H28F3N7O3S
MW: 491.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.5
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass491.19264344
Monoisotopic Mass491.19264344
Topological Polar Surface Area134 Ų
Heavy Atom Count33
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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