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canSAR1617962
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NAMES
    SMILES
    O=C1[C@H](Cc2ccccc2)NCCCC[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1
    InChI
    InChI=1S/C27H29ClN2O/c28-24-16-14-23(15-17-24)26-13-7-8-18-29-25(19-21-9-3-1-4-10-21)27(31)30(26)20-22-11-5-2-6-12-22/h1-6,9-12,14-17,25-26,29H,7-8,13,18-20H2/t25-,26+/m0/s1
    MOLECULAR FORMULA
    C27H29ClN2O
    CROSS REFERENCES
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    canSAR1617962

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.20
    AlogP 5.79
    HBond donors 1
    HBond acceptors 3
    Atoms 60
    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 canSAR1617962.