canSAR2096586
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(-c7cnc8ccccc8c7C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C46H55NO4/c1-27(2)30-18-23-46(41(50)51)25-24-44(6)34(39(30)46)16-17-37-43(5)21-19-33(42(3,4)36(43)20-22-45(37,44)7)29-14-12-28(13-15-29)32-26-47-35-11-9-8-10-31(35)38(32)40(48)49/h8-15,19,26,30,34,36-37,39H,1,16-18,20-25H2,2-7H3,(H,48,49)(H,50,51)/t30-,34+,36-,37+,39+,43-,44+,45+,46-/m0/s1
    MOLECULAR FORMULA
    C46H55NO4
    CROSS REFERENCES
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    canSAR2096586
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight685.41
    AlogP11.34
    HBond donors2
    HBond acceptors5
    Atoms106
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096586.