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canSAR1501945
FEATURES
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NAMES
    SMILES
    CCCCCCSc1ccc(-c2nc3ccc(C)cn3c2NCCCC)cc1OC.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C25H35N3OS.C2HF3O2/c1-5-7-9-10-16-30-22-13-12-20(17-21(22)29-4)24-25(26-15-8-6-2)28-18-19(3)11-14-23(28)27-24;3-2(4,5)1(6)7/h11-14,17-18,26H,5-10,15-16H2,1-4H3;(H,6,7)
    MOLECULAR FORMULA
    C27H36F3N3O3S
    CROSS REFERENCES
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    canSAR1501945

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.24
    AlogP 7.84
    HBond donors 2
    HBond acceptors 6
    Atoms 73
    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 canSAR1501945.