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canSAR837222
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NAMES
    SMILES
    CN(c1nc2ccccc2s1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1
    InChI
    InChI=1S/C23H31N3S/c1-23(2)17-9-8-16(19(23)14-17)15-26-12-10-18(11-13-26)25(3)22-24-20-6-4-5-7-21(20)27-22/h4-8,17-19H,9-15H2,1-3H3/t17-,19-/m0/s1
    MOLECULAR FORMULA
    C23H31N3S
    CROSS REFERENCES
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    canSAR837222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.22
    AlogP 5.19
    HBond donors 0
    HBond acceptors 3
    Atoms 58
    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 canSAR837222.