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canSAR1517482
FEATURES
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NAMES
    SMILES
    CCCCNc1c(-c2ccc(OC)c(SC3CCCCC3)c2)nc2ccc(C)cn12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C25H33N3OS.C2HF3O2/c1-4-5-15-26-25-24(27-23-14-11-18(2)17-28(23)25)19-12-13-21(29-3)22(16-19)30-20-9-7-6-8-10-20;3-2(4,5)1(6)7/h11-14,16-17,20,26H,4-10,15H2,1-3H3;(H,6,7)
    MOLECULAR FORMULA
    C27H34F3N3O3S
    CROSS REFERENCES
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    canSAR1517482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.23
    AlogP 7.59
    HBond donors 2
    HBond acceptors 6
    Atoms 71
    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 canSAR1517482.