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canSAR836366
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NAMES
    SMILES
    COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C32H43NO4/c1-27(2)22-9-10-31(6)23(30(22,5)16-19(18-33)25(27)35)15-21(34)24-20-17-29(4,26(36)37-8)12-11-28(20,3)13-14-32(24,31)7/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,28+,29-,30-,31+,32+/m0/s1
    MOLECULAR FORMULA
    C32H43NO4
    CROSS REFERENCES
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    canSAR836366

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 505.32
    AlogP 6.38
    HBond donors 0
    HBond acceptors 5
    Atoms 80
    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 canSAR836366.