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canSAR1522521
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NAMES
    SMILES
    COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(C(N=O)N4CCCN(C)CC4)c3)NC(=O)NC1=O)C2
    InChI
    InChI=1S/C27H29N7O5/c1-32-8-3-9-33(11-10-32)23(31-38)20-12-18(14-28-15-20)6-7-27(25(36)29-26(37)30-27)17-34-16-19-4-5-21(39-2)13-22(19)24(34)35/h4-5,12-15,23H,3,8-11,16-17H2,1-2H3,(H2,29,30,36,37)/t23?,27-/m1/s1
    MOLECULAR FORMULA
    C27H29N7O5
    CROSS REFERENCES
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    canSAR1522521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.22
    AlogP 1.08
    HBond donors 2
    HBond acceptors 12
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1522521.