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canSAR564170
FEATURES
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NAMES
    SMILES
    O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1
    InChI
    InChI=1S/C30H46N2O6S/c33-24-27-22-26(14-15-29(27)34)30(35)23-31-16-5-1-2-8-19-38-20-9-4-11-25-12-10-13-28(21-25)39(36,37)32-17-6-3-7-18-32/h10,12-15,21-22,30-31,33-35H,1-9,11,16-20,23-24H2/t30-/m0/s1
    MOLECULAR FORMULA
    C30H46N2O6S
    CROSS REFERENCES
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    canSAR564170

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.31
    AlogP 4.28
    HBond donors 4
    HBond acceptors 8
    Atoms 85
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR564170.