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canSAR113011
FEATURES
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NAMES
    SMILES
    CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(CN(C)C)c2)[C@H]1O
    InChI
    InChI=1S/C29H44N2O3S/c1-7-9-16-29(17-10-8-2)21-35(33,34)26-15-14-24(31(5)6)19-25(26)27(28(29)32)23-13-11-12-22(18-23)20-30(3)4/h11-15,18-19,27-28,32H,7-10,16-17,20-21H2,1-6H3/t27-,28-/m1/s1
    MOLECULAR FORMULA
    C29H44N2O3S
    CROSS REFERENCES
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    canSAR113011

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.31
    AlogP 5.46
    HBond donors 1
    HBond acceptors 5
    Atoms 79
    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 canSAR113011.