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canSAR1154050
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NAMES
    SMILES
    CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1
    InChI
    InChI=1S/C30H46BrNO3/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-18-25(3,4)22(32-34)9-10-26(18,5)19(27)16-21(31)30(28,20(29)17-24)35-23(29)33/h18-21,34H,8-17H2,1-7H3/b32-22+/t18-,19+,20+,21-,26-,27+,28-,29-,30+/m0/s1
    MOLECULAR FORMULA
    C30H46BrNO3
    CROSS REFERENCES
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    canSAR1154050

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.27
    AlogP 7.75
    HBond donors 1
    HBond acceptors 4
    Atoms 81
    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 canSAR1154050.