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canSAR115245
FEATURES
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NAMES
    SMILES
    CC(C)CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@](C)(CCC(=O)O)C(=O)C[C@@H]3C
    InChI
    InChI=1S/C27H46O3/c1-17(2)8-7-9-18(3)20-10-11-21-25-19(4)16-23(28)27(6,15-13-24(29)30)22(25)12-14-26(20,21)5/h17-22,25H,7-16H2,1-6H3,(H,29,30)/t18?,19-,20?,21?,22?,25?,26+,27+/m0/s1
    MOLECULAR FORMULA
    C27H46O3
    CROSS REFERENCES
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    canSAR115245

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.34
    AlogP 6.99
    HBond donors 1
    HBond acceptors 3
    Atoms 76
    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 canSAR115245.