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canSAR934808
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NAMES
    SMILES
    C[C@]12C[C@H](c3ccc(OCCCCCNC(=O)CBr)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
    InChI
    InChI=1S/C31H40BrNO4/c1-31-18-26(20-5-9-23(10-6-20)37-16-4-2-3-15-33-29(36)19-32)30-24-12-8-22(34)17-21(24)7-11-25(30)27(31)13-14-28(31)35/h5-6,8-10,12,17,25-28,30,34-35H,2-4,7,11,13-16,18-19H2,1H3,(H,33,36)/t25-,26+,27-,28-,30+,31-/m0/s1
    MOLECULAR FORMULA
    C31H40BrNO4
    CROSS REFERENCES
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    canSAR934808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 569.21
    AlogP 6.06
    HBond donors 3
    HBond acceptors 5
    Atoms 77
    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 canSAR934808.