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canSAR1509950
FEATURES
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NAMES
    SMILES
    Brc1ccc2nc(-c3ccc(CN4CCC5(CC4)CNc4ccccc45)cc3)c(-c3ccccc3)nc2c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C33H29BrN4.C2HF3O2/c34-26-14-15-29-30(20-26)37-31(24-6-2-1-3-7-24)32(36-29)25-12-10-23(11-13-25)21-38-18-16-33(17-19-38)22-35-28-9-5-4-8-27(28)33;3-2(4,5)1(6)7/h1-15,20,35H,16-19,21-22H2;(H,6,7)
    MOLECULAR FORMULA
    C35H30BrF3N4O2
    CROSS REFERENCES
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    canSAR1509950

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 674.15
    AlogP 8.32
    HBond donors 2
    HBond acceptors 6
    Atoms 75
    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 canSAR1509950.