canSAR823663
FEATURES
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NAMES
    SMILES
    COc1cc([C@H]2c3cc4c(cc3[C@@H](OC(=O)CCC(=O)NCc3ccc(NS(=O)(=O)c5cccc6c(N(C)C)cccc56)cc3)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC
    InChI
    InChI=1S/C45H45N3O12S/c1-48(2)33-10-6-9-29-28(33)8-7-11-38(29)61(52,53)47-27-14-12-25(13-15-27)22-46-39(49)16-17-40(50)60-43-31-21-35-34(58-24-59-35)20-30(31)41(42-32(43)23-57-45(42)51)26-18-36(54-3)44(56-5)37(19-26)55-4/h6-15,18-21,32,41-43,47H,16-17,22-24H2,1-5H3,(H,46,49)/t32-,41+,42-,43-/m1/s1
    MOLECULAR FORMULA
    C45H45N3O12S
    CROSS REFERENCES
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    canSAR823663
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight851.27
    AlogP6.08
    HBond donors2
    HBond acceptors15
    Atoms106
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823663.