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canSAR1100977
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NAMES
    SMILES
    COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
    InChI
    InChI=1S/C41H42N4O/c1-46-33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,2-3,11,13-15,21,23,28-29H2,1H3,(H,42,43)
    MOLECULAR FORMULA
    C41H42N4O
    CROSS REFERENCES
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    canSAR1100977

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 606.34
    AlogP 9.99
    HBond donors 1
    HBond acceptors 5
    Atoms 88
    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 canSAR1100977.