canSAR1632416
FEATURES
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NAMES
    SMILES
    CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)C(CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1
    InChI
    InChI=1S/C39H49N5O5/c1-5-39-31(37(47)42-19-21-43(22-20-42)38(48)33-14-9-23-49-33)24-28(25-34(45)40-17-15-27(4)11-8-10-26(2)3)36(46)44(39)18-16-30-29-12-6-7-13-32(29)41-35(30)39/h6-7,9-10,12-15,23,28,31,41H,5,8,11,16-22,24-25H2,1-4H3,(H,40,45)/b27-15+/t28?,31-,39+/m1/s1
    MOLECULAR FORMULA
    C39H49N5O5
    CROSS REFERENCES
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    canSAR1632416
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight667.37
    AlogP5.57
    HBond donors2
    HBond acceptors10
    Atoms98
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632416.