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canSAR1978801
FEATURES
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NAMES
    SMILES
    O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccc(F)cc1
    InChI
    InChI=1S/C29H23FN6O2S/c30-21-12-14-22(15-13-21)39(37,38)35-29(16-4-17-29)20-10-8-19(9-11-20)27-33-34-28-23-5-1-2-6-24(23)32-26-25(36(27)28)7-3-18-31-26/h1-3,5-15,18,35H,4,16-17H2,(H,31,32)
    MOLECULAR FORMULA
    C29H23FN6O2S
    CROSS REFERENCES
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    canSAR1978801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.16
    AlogP 5.55
    HBond donors 2
    HBond acceptors 8
    Atoms 62
    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 canSAR1978801.