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canSAR778716
FEATURES
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NAMES
    SMILES
    CC(C)CCCC#CC(=O)C12C[C@@H]3[C@H](C)CC[C@H]3C3(C=O)CC1C=C(C(C)C)[C@@]23C(=O)O
    InChI
    InChI=1S/C28H38O4/c1-17(2)9-7-6-8-10-24(30)27-15-21-19(5)11-12-22(21)26(16-29)14-20(27)13-23(18(3)4)28(26,27)25(31)32/h13,16-22H,6-7,9,11-12,14-15H2,1-5H3,(H,31,32)/t19-,20?,21-,22-,26?,27?,28+/m1/s1
    MOLECULAR FORMULA
    C28H38O4
    CROSS REFERENCES
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    canSAR778716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.28
    AlogP 5.31
    HBond donors 1
    HBond acceptors 4
    Atoms 70
    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 canSAR778716.