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canSAR833077
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NAMES
    SMILES
    CC(C)C1=CC2CC3(C=O)[C@@H]4CC[C@@H](C)[C@H]4CC2(c2cc(-c4ccccc4)on2)[C@]13C(=O)O
    InChI
    InChI=1S/C28H31NO4/c1-16(2)22-11-19-13-26(15-30)21-10-9-17(3)20(21)14-27(19,28(22,26)25(31)32)24-12-23(33-29-24)18-7-5-4-6-8-18/h4-8,11-12,15-17,19-21H,9-10,13-14H2,1-3H3,(H,31,32)/t17-,19?,20-,21-,26?,27?,28+/m1/s1
    MOLECULAR FORMULA
    C28H31NO4
    CROSS REFERENCES
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    canSAR833077

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.23
    AlogP 5.52
    HBond donors 1
    HBond acceptors 5
    Atoms 64
    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 canSAR833077.