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canSAR785705
FEATURES
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NAMES
    SMILES
    C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C21H26O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,7,10,13,16-18,23H,5-6,8-9,11-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
    MOLECULAR FORMULA
    C21H26O2
    CROSS REFERENCES
    785705 logo

    canSAR785705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 310.19
    AlogP 3.66
    HBond donors 1
    HBond acceptors 2
    Atoms 49
    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 canSAR785705.