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canSAR2085256
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NAMES
    SMILES
    Fc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1
    InChI
    InChI=1S/C21H18F2N6S/c22-12-2-1-3-13(8-12)26-17-11-30-19-18(17)28-20(15-5-7-25-10-16(15)23)29-21(19)27-14-4-6-24-9-14/h1-3,5,7-8,10-11,14,24,26H,4,6,9H2,(H,27,28,29)/t14-/m1/s1
    MOLECULAR FORMULA
    C21H18F2N6S
    CROSS REFERENCES
    2085256 logo

    canSAR2085256

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.13
    AlogP 4.55
    HBond donors 3
    HBond acceptors 6
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2085256.