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canSAR1721859
FEATURES
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NAMES
    SMILES
    O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NCC1CCCO1
    InChI
    InChI=1S/C18H18FN5O2S/c19-13-5-3-12(4-6-13)18-22-21-15-7-8-17(23-24(15)18)27-11-16(25)20-10-14-2-1-9-26-14/h3-8,14H,1-2,9-11H2,(H,20,25)
    MOLECULAR FORMULA
    C18H18FN5O2S
    CROSS REFERENCES
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    canSAR1721859

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.12
    AlogP 2.32
    HBond donors 1
    HBond acceptors 7
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1721859.