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canSAR1018094
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NAMES
    SMILES
    O=C(C[C@H](Nc1ccc2[nH]ncc2c1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1
    InChI
    InChI=1S/C34H44N8O3/c43-32(40-16-12-28(13-17-40)42-23-24-6-2-3-7-29(24)37-34(42)45)21-31(36-26-8-9-30-25(20-26)22-35-38-30)33(44)41-18-10-27(11-19-41)39-14-4-1-5-15-39/h2-3,6-9,20,22,27-28,31,36H,1,4-5,10-19,21,23H2,(H,35,38)(H,37,45)/t31-/m0/s1
    MOLECULAR FORMULA
    C34H44N8O3
    CROSS REFERENCES
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    canSAR1018094

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.35
    AlogP 4.25
    HBond donors 3
    HBond acceptors 11
    Atoms 89
    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 canSAR1018094.