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canSAR1124758
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NAMES
    SMILES
    COc1ccc(OC)c(C(=O)NCCCN(CCCCCCCCCCCCN(CCCNC(=O)c2cc(OC)ccc2OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
    InChI
    InChI=1S/C46H74N4O10/c1-45(2,3)59-43(53)49(31-21-27-47-41(51)37-33-35(55-7)23-25-39(37)57-9)29-19-17-15-13-11-12-14-16-18-20-30-50(44(54)60-46(4,5)6)32-22-28-48-42(52)38-34-36(56-8)24-26-40(38)58-10/h23-26,33-34H,11-22,27-32H2,1-10H3,(H,47,51)(H,48,52)
    MOLECULAR FORMULA
    C46H74N4O10
    CROSS REFERENCES
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    canSAR1124758

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 842.54
    AlogP 9.04
    HBond donors 2
    HBond acceptors 14
    Atoms 134
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1124758.