canSAR2157968
FEATURES
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NAMES
    SMILES
    COc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1
    InChI
    InChI=1S/C25H31N7O/c1-15-10-18-12-27-24(31-22(18)23(29-15)28-14-25(3,4)5)30-19-9-8-17(11-21(19)33-7)20-13-26-16(2)32(20)6/h8-13H,14H2,1-7H3,(H,28,29)(H,27,30,31)
    MOLECULAR FORMULA
    C25H31N7O
    CROSS REFERENCES
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    canSAR2157968
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight445.26
    AlogP5.25
    HBond donors2
    HBond acceptors8
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2157968.