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canSAR1015049
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NAMES
    SMILES
    CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1
    InChI
    InChI=1S/C22H24BrN5O2S/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1
    MOLECULAR FORMULA
    C22H24BrN5O2S
    CROSS REFERENCES
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    canSAR1015049

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.08
    AlogP 3.71
    HBond donors 3
    HBond acceptors 7
    Atoms 55
    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 canSAR1015049.