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canSAR934253
FEATURES
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NAMES
    SMILES
    CC1(C)/C(=N/O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
    InChI
    InChI=1S/C30H45NO4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)31-35)20(32)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23,35H,8-15,17H2,1-7H3,(H,33,34)/b31-22+/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1
    MOLECULAR FORMULA
    C30H45NO4
    CROSS REFERENCES
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    canSAR934253

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.33
    AlogP 6.88
    HBond donors 2
    HBond acceptors 5
    Atoms 80
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR934253.