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canSAR656005
FEATURES
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)NS(=O)(=O)c3ccc(C)cc3)c(C)c(C)c2O1
    InChI
    InChI=1S/C37H51NO5S/c1-25(2)13-10-14-26(3)15-11-16-27(4)17-12-23-37(9)24-22-33-31(8)34(29(6)30(7)35(33)43-37)42-36(39)38-44(40,41)32-20-18-28(5)19-21-32/h13,15,17-21H,10-12,14,16,22-24H2,1-9H3,(H,38,39)/b26-15+,27-17+/t37-/m1/s1
    MOLECULAR FORMULA
    C37H51NO5S
    CROSS REFERENCES
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    canSAR656005

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 621.35
    AlogP 9.68
    HBond donors 1
    HBond acceptors 6
    Atoms 95
    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 canSAR656005.