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canSAR1863998
FEATURES
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NAMES
    SMILES
    C=C1CCC[C@@H]2[C@@](C)(CCC3=CC[C@H](C4=CC(=O)O[C@H]4O)OC3)[C@@H](C)CC[C@@]12C
    InChI
    InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h8,14,17,20-21,23,27H,1,5-7,9-13,15H2,2-4H3/t17-,20+,21-,23+,24-,25-/m0/s1
    MOLECULAR FORMULA
    C25H36O4
    CROSS REFERENCES
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    canSAR1863998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.26
    AlogP 5.08
    HBond donors 1
    HBond acceptors 4
    Atoms 65
    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 canSAR1863998.