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canSAR504694
FEATURES
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NAMES
    SMILES
    CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.O=C1/C(=C/c2ccncc2)CCc2ccccc21
    InChI
    InChI=1S/C22H32O3.C16H13NO/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3;18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h13,16-19H,4-12H2,1-3H3;1-4,7-11H,5-6H2/b;14-11+
    MOLECULAR FORMULA
    C38H45NO4
    CROSS REFERENCES
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    canSAR504694

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.33
    AlogP 8.13
    HBond donors 0
    HBond acceptors 5
    Atoms 88
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR504694.