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canSAR674942
FEATURES
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NAMES
    SMILES
    C[C@@H](NC(=O)c1cc(-c2n[nH]c([C@](C)(N)Cc3ccccc3)n2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1
    InChI
    InChI=1S/C28H31FN6O3S/c1-18(20-10-12-23(29)13-11-20)31-26(36)22-14-21(15-24(16-22)35(3)39(4,37)38)25-32-27(34-33-25)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,36)(H,32,33,34)/t18-,28-/m1/s1
    MOLECULAR FORMULA
    C28H31FN6O3S
    CROSS REFERENCES
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    canSAR674942

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.22
    AlogP 3.91
    HBond donors 4
    HBond acceptors 9
    Atoms 70
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR674942.