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canSAR834127
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NAMES
    SMILES
    CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)CC(=O)[C@@H]1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@]13C
    InChI
    InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-29(6)19(20(31)16-26)14-21(33)23-28(5)15-18(17-32)24(34)27(3,4)22(28)8-9-30(23,29)7/h15,22-23H,8-14,16H2,1-7H3,(H,35,36)/t22-,23+,28-,29+,30+,31-/m0/s1
    MOLECULAR FORMULA
    C31H41NO4
    CROSS REFERENCES
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    canSAR834127

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.30
    AlogP 6.43
    HBond donors 1
    HBond acceptors 5
    Atoms 77
    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 canSAR834127.