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canSAR668344
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NAMES
    SMILES
    CC(C)(C)C1CCC(CN2CCN([C@@H](Cc3ccccc3)CN3CCCC3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)CC1
    InChI
    InChI=1S/C47H69N5/c1-47(2,3)42-23-21-41(22-24-42)34-51-28-29-52(37-45(51)31-39-16-9-5-10-17-39)46(32-40-18-11-6-12-19-40)36-49-26-13-20-43(49)35-50-27-25-48-33-44(50)30-38-14-7-4-8-15-38/h4-12,14-19,41-46,48H,13,20-37H2,1-3H3/t41?,42?,43?,44-,45-,46-/m0/s1
    MOLECULAR FORMULA
    C47H69N5
    CROSS REFERENCES
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    canSAR668344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 703.56
    AlogP 7.66
    HBond donors 1
    HBond acceptors 5
    Atoms 121
    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 canSAR668344.