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canSAR651100
FEATURES
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NAMES
    SMILES
    COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3F)ncnc2cc1OCCCN1CCN(C)CC1
    InChI
    InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-21(17-26(27)38-2)29(33-19-32-25)34-23-9-8-20(16-22(23)31)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34)
    MOLECULAR FORMULA
    C30H31FN6O2S
    CROSS REFERENCES
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    canSAR651100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.22
    AlogP 5.81
    HBond donors 1
    HBond acceptors 8
    Atoms 71
    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 canSAR651100.