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canSAR1993179
FEATURES
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NAMES
    SMILES
    O=C(c1cnn2c1NC(c1ccc(Br)cc1)CC2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
    InChI
    InChI=1S/C28H33BrF3N5O/c29-21-3-1-20(2-4-21)23-12-24(28(30,31)32)37-25(34-23)22(16-33-37)26(38)35-5-7-36(8-6-35)27-13-17-9-18(14-27)11-19(10-17)15-27/h1-4,16-19,23-24,34H,5-15H2
    MOLECULAR FORMULA
    C28H33BrF3N5O
    CROSS REFERENCES
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    canSAR1993179

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.18
    AlogP 6.03
    HBond donors 1
    HBond acceptors 6
    Atoms 71
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1993179.