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canSAR784715
FEATURES
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NAMES
    SMILES
    C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(CCc1ccccc1)C(C(=O)O)C(=O)O
    InChI
    InChI=1S/C27H40O4/c1-18-11-14-22-26(2,3)15-8-16-27(22,4)21(18)17-20(23(24(28)29)25(30)31)13-12-19-9-6-5-7-10-19/h5-7,9-10,18,20-23H,8,11-17H2,1-4H3,(H,28,29)(H,30,31)/t18-,20?,21-,22-,27+/m0/s1
    MOLECULAR FORMULA
    C27H40O4
    CROSS REFERENCES
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    canSAR784715

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.29
    AlogP 6.29
    HBond donors 2
    HBond acceptors 4
    Atoms 71
    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 canSAR784715.