canSAR2060446
FEATURES
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NAMES
    SMILES
    COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2OCC[C@@H]1CN(C)C
    InChI
    InChI=1S/C30H31BrN2O3/c1-33(2)19-22-15-16-36-27-12-8-7-11-25(27)30(22,34)28(20-9-5-4-6-10-20)24-18-21-17-23(31)13-14-26(21)32-29(24)35-3/h4-14,17-18,22,28,34H,15-16,19H2,1-3H3/t22-,28-,30+/m1/s1
    MOLECULAR FORMULA
    C30H31BrN2O3
    CROSS REFERENCES
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    canSAR2060446
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight546.15
    AlogP5.99
    HBond donors1
    HBond acceptors5
    Atoms67
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2060446.