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canSAR1129727
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NAMES
    SMILES
    C=CCn1cc(-c2ccc(O)cc2)c(O)c(C(=O)[C@@H]2C=C(C)[C@H]3CC[C@H](C)C[C@@H]3[C@H]2/C=C/C)c1=O
    InChI
    InChI=1S/C30H35NO4/c1-5-7-23-24-15-18(3)8-13-22(24)19(4)16-25(23)28(33)27-29(34)26(17-31(14-6-2)30(27)35)20-9-11-21(32)12-10-20/h5-7,9-12,16-18,22-25,32,34H,2,8,13-15H2,1,3-4H3/b7-5+/t18-,22+,23+,24-,25+/m0/s1
    MOLECULAR FORMULA
    C30H35NO4
    CROSS REFERENCES
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    canSAR1129727

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.26
    AlogP 6.12
    HBond donors 2
    HBond acceptors 5
    Atoms 70
    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 canSAR1129727.