canSAR54069
FEATURES
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NAMES
    SMILES
    CCN[C@H](CN[C@H](CN[C@@H](Cc1ccccc1)CN1CCC[C@H]1CN[C@H](CN)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
    InChI
    InChI=1S/C43H60N6O3/c1-2-45-37(24-34-12-18-42(51)19-13-34)28-46-38(25-35-14-20-43(52)21-15-35)29-47-39(26-32-7-4-3-5-8-32)31-49-22-6-9-40(49)30-48-36(27-44)23-33-10-16-41(50)17-11-33/h3-5,7-8,10-21,36-40,45-48,50-52H,2,6,9,22-31,44H2,1H3/t36-,37-,38-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C43H60N6O3
    CROSS REFERENCES
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    canSAR54069
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight708.47
    AlogP4.35
    HBond donors9
    HBond acceptors9
    Atoms112
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR54069.