4LS
FEATURES
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NAMES
  • 4LS
SMILES
CC(C)=CCN1c2cc(C)c(C)cc2N(CC(O)C(O)C(O)COP(=O)(O)O)c2[nH]c(=O)[nH]c(=O)c21
InChI
InChI=1S/C22H31N4O9P/c1-11(2)5-6-25-14-7-12(3)13(4)8-15(14)26(20-18(25)21(30)24-22(31)23-20)9-16(27)19(29)17(28)10-35-36(32,33)34/h5,7-8,16-17,19,27-29H,6,9-10H2,1-4H3,(H2,32,33,34)(H2,23,24,30,31)/t16-,17+,19-/m0/s1
MOLECULAR FORMULA
C22H31N4O9P
CROSS REFERENCES
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4LS
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight526.18
AlogP0.43
HBond donors7
HBond acceptors13
Atoms67
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 4LS.