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canSAR829702
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NAMES
    SMILES
    Cc1nn(CC(C)C)c(=O)n1-c1ccc(N2CCN(c3ccc(OC[C@@H]4COC(Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1
    InChI
    InChI=1S/C36H40Cl2N8O4/c1-25(2)19-45-35(47)46(26(3)41-45)30-7-5-28(6-8-30)42-14-16-43(17-15-42)29-9-11-31(12-10-29)48-20-32-21-49-36(50-32,22-44-24-39-23-40-44)33-13-4-27(37)18-34(33)38/h4-13,18,23-25,32H,14-17,19-22H2,1-3H3/t32-,36?/m1/s1
    MOLECULAR FORMULA
    C36H40Cl2N8O4
    CROSS REFERENCES
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    canSAR829702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 718.25
    AlogP 5.57
    HBond donors 0
    HBond acceptors 12
    Atoms 90
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR829702.