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canSAR2019530
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NAMES
    SMILES
    O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCC(N2CCCC2=O)CC1
    InChI
    InChI=1S/C27H27N7O2/c35-25-5-3-13-34(25)20-9-14-33(15-10-20)26(36)24-17-18-16-19(6-7-21(18)31-24)30-27-29-12-8-23(32-27)22-4-1-2-11-28-22/h1-2,4,6-8,11-12,16-17,20,31H,3,5,9-10,13-15H2,(H,29,30,32)
    MOLECULAR FORMULA
    C27H27N7O2
    CROSS REFERENCES
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    canSAR2019530

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.22
    AlogP 3.99
    HBond donors 2
    HBond acceptors 9
    Atoms 63
    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 canSAR2019530.