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canSAR1533852
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NAMES
    SMILES
    O=C1NC2CS[C@@H](CCCCCc3cn(CCCOc4ccc5ccccc5c4)nn3)C2N1
    InChI
    InChI=1S/C25H31N5O2S/c31-25-26-22-17-33-23(24(22)27-25)10-3-1-2-9-20-16-30(29-28-20)13-6-14-32-21-12-11-18-7-4-5-8-19(18)15-21/h4-5,7-8,11-12,15-16,22-24H,1-3,6,9-10,13-14,17H2,(H2,26,27,31)/t22?,23-,24?/m0/s1
    MOLECULAR FORMULA
    C25H31N5O2S
    CROSS REFERENCES
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    canSAR1533852

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.22
    AlogP 4.17
    HBond donors 2
    HBond acceptors 7
    Atoms 64
    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 canSAR1533852.