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canSAR109486
FEATURES
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NAMES
    SMILES
    CN(C)C(=O)/C=C/c1ccc(S[C@@H]2Cc3cc(O)ccc3C3CC[C@@]4(C)C(CC[C@@H]4O)C32)cc1
    InChI
    InChI=1S/C29H35NO3S/c1-29-15-14-23-22-10-7-20(31)16-19(22)17-25(28(23)24(29)11-12-26(29)32)34-21-8-4-18(5-9-21)6-13-27(33)30(2)3/h4-10,13,16,23-26,28,31-32H,11-12,14-15,17H2,1-3H3/b13-6+/t23?,24?,25-,26+,28?,29+/m1/s1
    MOLECULAR FORMULA
    C29H35NO3S
    CROSS REFERENCES
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    canSAR109486

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.23
    AlogP 5.48
    HBond donors 2
    HBond acceptors 4
    Atoms 69
    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 canSAR109486.