canSAR1417373
FEATURES
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NAMES
    SMILES
    CN(C)C[C@H]1C[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1
    InChI
    InChI=1S/C25H27N5O/c1-29(2)16-17-14-19(15-17)25-28-22(23-24(26)27-12-13-30(23)25)18-8-10-21(11-9-18)31-20-6-4-3-5-7-20/h3-13,17,19H,14-16H2,1-2H3,(H2,26,27)/t17-,19-
    MOLECULAR FORMULA
    C25H27N5O
    CROSS REFERENCES
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    canSAR1417373
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight413.22
    AlogP4.83
    HBond donors2
    HBond acceptors6
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417373.