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canSAR837091
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NAMES
    SMILES
    CN(C)c1cccc(C(=O)N[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1
    InChI
    InChI=1S/C30H31N7O4/c1-36(2)21-11-6-9-19(13-21)29(40)35-24-26(39)23(15-38)41-30(24)37-17-34-25-27(32-16-33-28(25)37)31-14-20-10-5-8-18-7-3-4-12-22(18)20/h3-13,16-17,23-24,26,30,38-39H,14-15H2,1-2H3,(H,35,40)(H,31,32,33)/t23-,24-,26-,30-/m1/s1
    MOLECULAR FORMULA
    C30H31N7O4
    CROSS REFERENCES
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    canSAR837091

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.24
    AlogP 2.71
    HBond donors 4
    HBond acceptors 11
    Atoms 72
    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 canSAR837091.