canSAR1632183
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1
    InChI
    InChI=1S/C39H41N3O7S/c1-48-30-15-11-26(12-16-30)23-39(38(45)49-2)35-29(25-42(39)36(43)28-9-5-4-6-10-28)21-33-32(35)22-34(37(44)40-19-7-8-20-40)41(33)24-27-13-17-31(18-14-27)50(3,46)47/h4-6,9-18,22,29,35H,7-8,19-21,23-25H2,1-3H3/t29-,35+,39+/m0/s1
    MOLECULAR FORMULA
    C39H41N3O7S
    CROSS REFERENCES
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    canSAR1632183
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight695.27
    AlogP4.75
    HBond donors0
    HBond acceptors10
    Atoms91
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632183.