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canSAR1498831
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NAMES
    SMILES
    Cl.O=C(Nc1nc2ccccc2s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
    InChI
    InChI=1S/C29H32N4O2S.ClH/c34-29(31-28-30-26-13-7-8-14-27(26)36-28)33(18-17-32-19-21-35-22-20-32)16-15-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24;/h1-14,25H,15-22H2,(H,30,31,34);1H
    MOLECULAR FORMULA
    C29H33ClN4O2S
    CROSS REFERENCES
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    canSAR1498831

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.20
    AlogP 6.11
    HBond donors 1
    HBond acceptors 6
    Atoms 70
    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 canSAR1498831.