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canSAR1685596
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NAMES
    SMILES
    Cn1c(CN2C(=O)CN(c3ccc(Oc4ccccc4)cc3)C2=O)nc2ccc(C(=O)N[C@H](C#N)CCCCN)cc21
    InChI
    InChI=1S/C31H31N7O4/c1-36-27-17-21(30(40)34-22(18-33)7-5-6-16-32)10-15-26(27)35-28(36)19-38-29(39)20-37(31(38)41)23-11-13-25(14-12-23)42-24-8-3-2-4-9-24/h2-4,8-15,17,22H,5-7,16,19-20,32H2,1H3,(H,34,40)/t22-/m0/s1
    MOLECULAR FORMULA
    C31H31N7O4
    CROSS REFERENCES
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    canSAR1685596

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.24
    AlogP 4.09
    HBond donors 3
    HBond acceptors 11
    Atoms 73
    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 canSAR1685596.