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canSAR1027989
FEATURES
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NAMES
    SMILES
    CC1(C)C[C@H](O)C[C@](C)(CNc2nc3ccc(F)cc3s2)C1
    InChI
    InChI=1S/C17H23FN2OS/c1-16(2)7-12(21)8-17(3,9-16)10-19-15-20-13-5-4-11(18)6-14(13)22-15/h4-6,12,21H,7-10H2,1-3H3,(H,19,20)/t12-,17-/m0/s1
    MOLECULAR FORMULA
    C17H23FN2OS
    CROSS REFERENCES
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    canSAR1027989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 322.15
    AlogP 4.42
    HBond donors 2
    HBond acceptors 3
    Atoms 45
    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 canSAR1027989.