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canSAR2086747
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1
    InChI
    InChI=1S/C25H31BO3/c1-24-13-11-21-20-10-8-19(26(28)29)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,27-29H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,25-/m1/s1
    MOLECULAR FORMULA
    C25H31BO3
    CROSS REFERENCES
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    canSAR2086747

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.24
    AlogP 3.20
    HBond donors 3
    HBond acceptors 3
    Atoms 60
    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 canSAR2086747.