I02
FEATURES
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NAMES
  • I02
SMILES
C[C@@H](NC(=O)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1
InChI
InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1
MOLECULAR FORMULA
C28H30FN5O4S
CROSS REFERENCES
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I02
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight551.20
AlogP4.18
HBond donors3
HBond acceptors9
Atoms69
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by I02.