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canSAR728389
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NAMES
    SMILES
    CC(C)n1cnc2c(NCc3ccc(-c4cccc(C(=O)O)c4)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc21
    InChI
    InChI=1S/C28H33N7O2/c1-17(2)35-16-31-24-25(33-28(34-26(24)35)32-23-12-10-22(29)11-13-23)30-15-18-6-8-19(9-7-18)20-4-3-5-21(14-20)27(36)37/h3-9,14,16-17,22-23H,10-13,15,29H2,1-2H3,(H,36,37)(H2,30,32,33,34)/t22-,23-
    MOLECULAR FORMULA
    C28H33N7O2
    CROSS REFERENCES
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    canSAR728389

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.27
    AlogP 5.07
    HBond donors 5
    HBond acceptors 9
    Atoms 70
    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 canSAR728389.