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canSAR992853
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NAMES
    SMILES
    C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCSC1)CC2
    InChI
    InChI=1S/C25H33N3OS/c1-3-10-28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)15-21(23)22-16-27(13-8-24(22)28)20-9-14-30-17-20/h3-5,15,18,20H,1,6-14,16-17H2,2H3
    MOLECULAR FORMULA
    C25H33N3OS
    CROSS REFERENCES
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    canSAR992853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.23
    AlogP 4.56
    HBond donors 0
    HBond acceptors 4
    Atoms 63
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR992853.