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canSAR562951
FEATURES
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NAMES
    SMILES
    CC[S+](CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(C)C
    InChI
    InChI=1S/C28H49OS/c1-7-30(19(2)3)17-14-20(4)24-10-11-25-23-9-8-21-18-22(29)12-15-27(21,5)26(23)13-16-28(24,25)6/h8,19-20,22-26,29H,7,9-18H2,1-6H3/q+1/t20-,22+,23?,24?,25?,26?,27+,28-,30?/m1/s1
    MOLECULAR FORMULA
    C28H49OS+
    CROSS REFERENCES
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    canSAR562951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.35
    AlogP 7.00
    HBond donors 1
    HBond acceptors 1
    Atoms 79
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR562951.