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canSAR560155
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(c1c[nH]c2c(OCc3ccccc3)cccc12)[C@@H]1CSC(c2cccnc2)N1
    InChI
    InChI=1S/C24H21N3O2S.C2HF3O2/c28-23(20-15-30-24(27-20)17-8-5-11-25-12-17)19-13-26-22-18(19)9-4-10-21(22)29-14-16-6-2-1-3-7-16;3-2(4,5)1(6)7/h1-13,20,24,26-27H,14-15H2;(H,6,7)/t20-,24?;/m0./s1
    MOLECULAR FORMULA
    C26H22F3N3O4S
    CROSS REFERENCES
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    canSAR560155

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.13
    AlogP 5.36
    HBond donors 3
    HBond acceptors 7
    Atoms 59
    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 canSAR560155.