canSAR862018
FEATURES
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@H]2C[C@](C)(O)C(=O)N2Cc2cc(OC)cc(OC)c2)C[C@@H](O)C[C@@H]1O
    InChI
    InChI=1S/C36H51NO6/c1-22(14-27-20-36(4,41)34(40)37(27)21-24-15-29(42-5)19-30(16-24)43-6)31-11-12-32-25(8-7-13-35(31,32)3)9-10-26-17-28(38)18-33(39)23(26)2/h9-10,15-16,19,22,27-28,31-33,38-39,41H,2,7-8,11-14,17-18,20-21H2,1,3-6H3/b25-9+,26-10-/t22-,27+,28-,31-,32+,33+,35-,36+/m1/s1
    MOLECULAR FORMULA
    C36H51NO6
    CROSS REFERENCES
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    canSAR862018
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight593.37
    AlogP5.72
    HBond donors3
    HBond acceptors7
    Atoms94
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR862018.