Alpelisib
FEATURES
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NAMES
  • 1LT
  • Alpelisib
  • BYL-719
  • NVP-BYL719
SMILES
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1
InChI
InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
MOLECULAR FORMULA
C19H22F3N5O2S
CROSS REFERENCES
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Alpelisib
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight441.14
AlogP3.84
HBond donors3
HBond acceptors7
Atoms52
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS