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canSAR846059
FEATURES
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NAMES
    SMILES
    CC(C)C1=CC2CC3(C=O)[C@@H]4CC[C@@H](C)[C@H]4CC2(C(O)C#Cc2ccccc2)[C@]13C(=O)O
    InChI
    InChI=1S/C28H32O4/c1-17(2)23-13-20-14-26(16-29)22-11-9-18(3)21(22)15-27(20,28(23,26)25(31)32)24(30)12-10-19-7-5-4-6-8-19/h4-8,13,16-18,20-22,24,30H,9,11,14-15H2,1-3H3,(H,31,32)/t18-,20?,21-,22-,24?,26?,27?,28+/m1/s1
    MOLECULAR FORMULA
    C28H32O4
    CROSS REFERENCES
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    canSAR846059

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.23
    AlogP 4.32
    HBond donors 2
    HBond acceptors 4
    Atoms 64
    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 canSAR846059.