canSAR2093265
FEATURES
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NAMES
    SMILES
    Cc1sc2c(N[C@H]3CCNC3)nc(-c3ccncc3)nc2c1Br
    InChI
    InChI=1S/C16H16BrN5S/c1-9-12(17)13-14(23-9)16(20-11-4-7-19-8-11)22-15(21-13)10-2-5-18-6-3-10/h2-3,5-6,11,19H,4,7-8H2,1H3,(H,20,21,22)/t11-/m0/s1
    MOLECULAR FORMULA
    C16H16BrN5S
    CROSS REFERENCES
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    canSAR2093265
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight389.03
    AlogP3.60
    HBond donors2
    HBond acceptors5
    Atoms39
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2093265.