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canSAR787716
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NAMES
    SMILES
    CCn1cc2c3c(cccc31)[C@H]1C[C@@H](NC(=O)C3CCC(OC)CC3)CN(C)[C@@H]1C2
    InChI
    InChI=1S/C25H35N3O2/c1-4-28-14-17-12-23-21(20-6-5-7-22(28)24(17)20)13-18(15-27(23)2)26-25(29)16-8-10-19(30-3)11-9-16/h5-7,14,16,18-19,21,23H,4,8-13,15H2,1-3H3,(H,26,29)/t16?,18-,19?,21-,23-/m1/s1
    MOLECULAR FORMULA
    C25H35N3O2
    CROSS REFERENCES
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    canSAR787716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.27
    AlogP 3.69
    HBond donors 1
    HBond acceptors 5
    Atoms 65
    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 canSAR787716.