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canSAR1638620
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NAMES
    SMILES
    CC1(C)CCC[C@]2(C)Oc3c(O)ccc(CCC(=O)c4ccc(O)cc4O)c3C[C@@H]12
    InChI
    InChI=1S/C25H30O5/c1-24(2)11-4-12-25(3)22(24)14-18-15(6-10-20(28)23(18)30-25)5-9-19(27)17-8-7-16(26)13-21(17)29/h6-8,10,13,22,26,28-29H,4-5,9,11-12,14H2,1-3H3/t22-,25-/m0/s1
    MOLECULAR FORMULA
    C25H30O5
    CROSS REFERENCES
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    canSAR1638620

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.21
    AlogP 5.14
    HBond donors 3
    HBond acceptors 5
    Atoms 60
    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 canSAR1638620.