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canSAR784197
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2
    InChI
    InChI=1S/C33H45NO4/c1-9-38-27(37)33-14-12-28(2,3)18-21(33)25-22(35)16-24-30(6)17-20(19-34)26(36)29(4,5)23(30)10-11-31(24,7)32(25,8)13-15-33/h16-17,21,23,25H,9-15,18H2,1-8H3/t21?,23-,25?,30-,31+,32+,33-/m0/s1
    MOLECULAR FORMULA
    C33H45NO4
    CROSS REFERENCES
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    canSAR784197

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.33
    AlogP 6.77
    HBond donors 0
    HBond acceptors 5
    Atoms 83
    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 canSAR784197.