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canSAR1650622
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NAMES
    SMILES
    COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(C)C[C@@H]4C3c2ccccc2)c1
    InChI
    InChI=1S/C29H29NO2/c1-30-17-24-25(20-10-5-3-6-11-20)28(23-15-9-14-22(16-23)27(31)32-2)18-29(24,19-28)26(30)21-12-7-4-8-13-21/h3-16,24-26H,17-19H2,1-2H3/t24-,25?,26-,28?,29?/m1/s1
    MOLECULAR FORMULA
    C29H29NO2
    CROSS REFERENCES
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    canSAR1650622

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.22
    AlogP 5.59
    HBond donors 0
    HBond acceptors 3
    Atoms 61
    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 canSAR1650622.