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canSAR1014115
FEATURES
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NAMES
    SMILES
    C=CCOC[C@H]1Cc2c(n(Cc3ccccc3)c3ccccc23)[C@@H]2C[C@@H](C=C)CC(=O)N21
    InChI
    InChI=1S/C28H30N2O2/c1-3-14-32-19-22-17-24-23-12-8-9-13-25(23)29(18-21-10-6-5-7-11-21)28(24)26-15-20(4-2)16-27(31)30(22)26/h3-13,20,22,26H,1-2,14-19H2/t20-,22-,26+/m1/s1
    MOLECULAR FORMULA
    C28H30N2O2
    CROSS REFERENCES
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    canSAR1014115

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.23
    AlogP 5.28
    HBond donors 0
    HBond acceptors 4
    Atoms 62
    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 canSAR1014115.