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canSAR831878
FEATURES
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NAMES
    SMILES
    C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)O)CC(=O)CC1
    InChI
    InChI=1S/C30H44O3/c1-20(2)8-6-10-22(4)27-15-16-28-25-14-12-23(19-26(25)29(32)33)18-24(31)13-11-21(3)9-7-17-30(27,28)5/h9,12,14,19-20,22,27-28H,6-8,10-11,13,15-18H2,1-5H3,(H,32,33)/b21-9-/t22-,27-,28+,30-/m1/s1
    MOLECULAR FORMULA
    C30H44O3
    CROSS REFERENCES
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    canSAR831878

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.33
    AlogP 7.98
    HBond donors 1
    HBond acceptors 3
    Atoms 77
    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 canSAR831878.