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canSAR1618177
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NAMES
    SMILES
    COCC1CN(c2cnc(C(=O)Nc3csc(-c4nncn4[C@@H](C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1
    InChI
    InChI=1S/C25H26F3N9O2S/c1-14(25(26,27)28)37-13-31-34-22(37)24-33-21(11-40-24)32-23(38)17-5-19(36-9-18(30-12-36)16-3-4-16)20(6-29-17)35-7-15(8-35)10-39-2/h5-6,9,11-16H,3-4,7-8,10H2,1-2H3,(H,32,38)/t14-/m0/s1
    MOLECULAR FORMULA
    C25H26F3N9O2S
    CROSS REFERENCES
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    canSAR1618177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.19
    AlogP 4.32
    HBond donors 1
    HBond acceptors 11
    Atoms 66
    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 canSAR1618177.