canSAR1650442
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@H]2CN3C(=NC[C@H]3C)N2CCNC(=O)c2ccc(C)c(Br)c2)cc1
    InChI
    InChI=1S/C24H29BrN4O2/c1-16-4-7-19(13-22(16)25)23(30)26-10-11-28-20(15-29-17(2)14-27-24(28)29)12-18-5-8-21(31-3)9-6-18/h4-9,13,17,20H,10-12,14-15H2,1-3H3,(H,26,30)/t17-,20+/m1/s1
    MOLECULAR FORMULA
    C24H29BrN4O2
    CROSS REFERENCES
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    canSAR1650442
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight484.15
    AlogP3.48
    HBond donors1
    HBond acceptors6
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650442.