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canSAR1129685
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NAMES
    SMILES
    CNC[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)NCCC1CCCCC1
    InChI
    InChI=1S/C31H49N3/c1-32-23-30(21-26-12-6-3-7-13-26)34-24-31(33-19-18-25-10-4-2-5-11-25)22-27-16-17-28-14-8-9-15-29(28)20-27/h8-9,14-17,20,25-26,30-34H,2-7,10-13,18-19,21-24H2,1H3/t30-,31-/m1/s1
    MOLECULAR FORMULA
    C31H49N3
    CROSS REFERENCES
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    canSAR1129685

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.39
    AlogP 6.46
    HBond donors 3
    HBond acceptors 3
    Atoms 83
    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 canSAR1129685.