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canSAR1117662
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NAMES
    SMILES
    O[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)cc(Nc3nc4ccc(Cl)cc4s3)n2)CC1
    InChI
    InChI=1S/C24H24ClN5OS/c25-16-6-11-20-21(13-16)32-24(28-20)30-22-14-18(12-15-4-2-1-3-5-15)27-23(29-22)26-17-7-9-19(31)10-8-17/h1-6,11,13-14,17,19,31H,7-10,12H2,(H2,26,27,28,29,30)/t17-,19-
    MOLECULAR FORMULA
    C24H24ClN5OS
    CROSS REFERENCES
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    canSAR1117662

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.14
    AlogP 5.79
    HBond donors 3
    HBond acceptors 6
    Atoms 56
    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 canSAR1117662.