canSAR818682
FEATURES
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NAMES
    SMILES
    Cc1ccc(C#C[C@]2(O)CC[C@H]3[C@@H]4OCC5=CC(=O)CCC5=C4[C@@H](c4ccc(N(C)C)cc4)C[C@@]32C)cc1
    InChI
    InChI=1S/C34H37NO3/c1-22-5-7-23(8-6-22)15-17-34(37)18-16-30-32-31(28-14-13-27(36)19-25(28)21-38-32)29(20-33(30,34)2)24-9-11-26(12-10-24)35(3)4/h5-12,19,29-30,32,37H,13-14,16,18,20-21H2,1-4H3/t29-,30+,32+,33+,34+/m1/s1
    MOLECULAR FORMULA
    C34H37NO3
    CROSS REFERENCES
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    canSAR818682
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight507.28
    AlogP5.73
    HBond donors1
    HBond acceptors4
    Atoms75
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818682.